Basic Searches
Searches without any special characters (listed below) will return items that contain the exact value(s) entered in the search field. This means that searching for "ASPIRIN CALCIUM" won't return any items that have "ASPIRIN GLYCINE CALCIUM" because the search term doesn't match exactly.
Boolean Operators
OR - searches with terms separated by " OR " will return items that contain any of the terms in the search.
Example: "ASPIRIN" OR "CALCIUM" will return items that have strings like "ASPIRIN GLYCINE" and "GLYCINE CALCIUM" because they contain at least one of the terms in the search.

AND - searches with terms separated by " AND " will return items that contain all the terms in the search.
Example: "ASPIRIN" AND "CALCIUM" won't return items that have strings "ASPIRIN GLYCINE" and "GLYCINE CALCIUM" because neither contain both terms, but it will return "ASPIRIN GLYCINE CALCIUM" because it contains both search terms.
version 2.7.1
Substance Class Chemical
Record UNII
UHB9Z3841A
Record Status Validated
Record Version
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Details

Stereochemistry ABSOLUTE
Molecular Formula C38H50N6O5.CH4O3S
Molecular Weight 766.946
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0
Created by admin on Wed Aug 04 02:19:51 EDT 2021
Edited by admin on Wed Aug 04 02:19:51 EDT 2021
Structure of SAQUINAVIR MESYLATE

Systematic Names:

  • None recorded

SMILES

CS(O)(=O)=O.[H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(N)=O)NC(=O)C4=CC=C5C=CC=CC5=N4)[C@@H](C2)C(=O)NC(C)(C)C

InChI

IRHXGOXEBNJUSN-YOXDLBRISA-N
InChI=1S/C38H50N6O5.CH4O3S/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29;1-5(2,3)4/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49);1H3,(H,2,3,4)/t26-,27+,30-,31-,32-,33+;/m0./s1
Name Type Language Details Access References
SAQUINAVIR MESYLATE
Domain Jurisdiction Naming Organization
drug  
USAN  
ORANGE BOOK   USAN   USP   USP-RS   VANDF  
Official Name
English  
SAQUINAVIR METHANESULFONATE SALT [MI]
Common Name
English  
SAQUINAVIR METHANESULFONATE SALT
MI  
Common Name
English  
SAQUINAVIR MESYLATE [VANDF]
Common Name
English  
SAQUINAVIR MESYLATE [USP]
Common Name
English  
SAQUINAVIR MESYLATE [USP-RS]
Common Name
English  
SAQUINAVIR MESYLATE [USP MONOGRAPH]
Common Name
English  
SAQUINAVIR MESYLATE [USAN]
Common Name
English  
SAQUINAVIR MESYLATE [ORANGE BOOK]
Common Name
English  
SAQUINAVIR MESILATE [WHO-IP]
Common Name
English  
SAQUINAVIR MESILATE [WHO-DD]
Common Name
English  
SAQUINAVIR MESILATE [MART.]
Common Name
English  
SAQUINAVIR MESILATE [JAN]
Common Name
English  
SAQUINAVIR MESILATE [EP MONOGRAPH]
Common Name
English  
SAQUINAVIR MESILATE
EP   JAN   MART.   WHO-DD   WHO-IP  
Common Name
English  
RO-318959003
Code
English  
RO-31-8959/003
Code
English  
RO 31-8959/003
Code
English  
INVIRASE
Brand Name
English  
BUTANEDIAMIDE, N(SUP 1)-(3-(3-(((1,1-DIMETHYLETHYL)AMINO)CARBONYL)OCTAHYDRO-2(1H)-ISOQUINOLINYL)-2-HYDROXY-1-(PHENYLMETHYL)PROPYL)-2-((2-QUINOLINYLCARBONYL)AMINO)-, (3S-(2(1R*(R*),2S*),3.ALPHA.,4A.BETA.,8A.BETA.))-, MONOMETHANESULPHONATE
Common Name
English  
BUTANEDIAMIDE, N(SUP 1)-(3-(3-(((1,1-DIMETHYLETHYL)AMINO)CARBONYL)OCTAHYDRO-2(1H)-ISOQUINOLINYL)-2-HYDROXY-1-(PHENYLMETHYL)PROPYL)-2-((2-QUINOLINYLCARBONYL)AMINO)-, (3S-(2(1R*(R*),2S*),3.ALPHA.,4A.BETA.,8A.BETA.))-, MONOMETHANESULFONATE
Common Name
English  
(S)-N-((.ALPHA.S)-.ALPHA.-((1R)-2-((3S,4AS,8AS)-3-(TERT-BUTYLCARBAMOYL)OCTAHYDRO-2(1H)-ISOQUINOLYL)-1-HYDROXYETHYL)PHENETHYL)-2-QUINALDAMIDOSUCCINAMIDE MONOMETHANESULPHONATE
Common Name
English  
(S)-N-((.ALPHA.S)-.ALPHA.-((1R)-2-((3S,4AS,8AS)-3-(TERT-BUTYLCARBAMOYL)OCTAHYDRO-2(1H)-ISOQUINOLYL)-1-HYDROXYETHYL)PHENETHYL)-2-QUINALDAMIDOSUCCINAMIDE MONOMETHANESULFONATE
Common Name
English  
Classification Tree Code System Code Access References
EMA ASSESSMENT REPORTS INVIRASE (AUTHORIZED: HIV INFECTIONS)
Created by admin on Wed Aug 04 02:19:52 EDT 2021 , Edited by admin on Wed Aug 04 02:19:52 EDT 2021
NCI_THESAURUS C97366
Created by admin on Wed Aug 04 02:19:52 EDT 2021 , Edited by admin on Wed Aug 04 02:19:52 EDT 2021
Code System Code Type Description Access References
CAS
149845-06-7
Created by admin on Wed Aug 04 02:19:52 EDT 2021 , Edited by admin on Wed Aug 04 02:19:52 EDT 2021
PRIMARY
EVMPD
SUB12572MIG
Created by admin on Wed Aug 04 02:19:52 EDT 2021 , Edited by admin on Wed Aug 04 02:19:52 EDT 2021
PRIMARY
ChEMBL
CHEMBL114
Created by admin on Wed Aug 04 02:19:52 EDT 2021 , Edited by admin on Wed Aug 04 02:19:52 EDT 2021
PRIMARY
DRUG BANK
DBSALT002836
Created by admin on Wed Aug 04 02:19:52 EDT 2021 , Edited by admin on Wed Aug 04 02:19:52 EDT 2021
PRIMARY
EPA CompTox
149845-06-7
Created by admin on Wed Aug 04 02:19:52 EDT 2021 , Edited by admin on Wed Aug 04 02:19:52 EDT 2021
PRIMARY
FDA UNII
UHB9Z3841A
Created by admin on Wed Aug 04 02:19:52 EDT 2021 , Edited by admin on Wed Aug 04 02:19:52 EDT 2021
PRIMARY
MERCK INDEX
M9776
Created by admin on Wed Aug 04 02:19:52 EDT 2021 , Edited by admin on Wed Aug 04 02:19:52 EDT 2021
PRIMARY Merck Index
NCI_THESAURUS
C1602
Created by admin on Wed Aug 04 02:19:52 EDT 2021 , Edited by admin on Wed Aug 04 02:19:52 EDT 2021
PRIMARY
PUBCHEM
60934
Created by admin on Wed Aug 04 02:19:52 EDT 2021 , Edited by admin on Wed Aug 04 02:19:52 EDT 2021
PRIMARY
RS_ITEM_NUM
1609829
Created by admin on Wed Aug 04 02:19:52 EDT 2021 , Edited by admin on Wed Aug 04 02:19:52 EDT 2021
PRIMARY
RXCUI
859857
Created by admin on Wed Aug 04 02:19:52 EDT 2021 , Edited by admin on Wed Aug 04 02:19:52 EDT 2021
PRIMARY RxNorm
WHO INTERNATIONAL PHARMACOPEIA
SAQUINAVIR MESYLATE
Created by admin on Wed Aug 04 02:19:52 EDT 2021 , Edited by admin on Wed Aug 04 02:19:52 EDT 2021
PRIMARY Description: A white or almost white powder. Solubility: Very slightly soluble in water and sparingly soluble in methanol R. Category: Antiretroviral (Protease Inhibitor). Storage: Saquinavir mesilate should be kept in a tightly-closed container, protected from light. Additional information: Saquinavir mesilate is slightly hygroscopic. Definition: Saquinavir mesilate contains not less than 98.5 % and not more than 101.0 % of C38H50N6O5.CH4O3S calculated with reference to the dried substance. Manufacture: The production method must be evaluated to determine the potential for formation of alkyl mesilates, which is particularly likely to occur if the reaction medium contains lower alcohols. Where necessary, the production method is validated to demonstrate that alkyl mesilates are not detectable in the final product.
Related Record Type Details Access References
PARENT -> SALT/SOLVATE
none
none
Mediator Substance Details
none
Created by admin on Wed Aug 04 02:19:52 EDT 2021 , Edited by admin on Wed Aug 04 02:19:52 EDT 2021
PARENT -> SALT/SOLVATE
none
none
Mediator Substance Details
none
Created by admin on Wed Aug 04 02:19:52 EDT 2021 , Edited by admin on Wed Aug 04 02:19:52 EDT 2021
Related Record Type Details Access References
IMPURITY -> PARENT
Mediator Substance Details
none
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Created by admin on Wed Aug 04 02:19:52 EDT 2021 , Edited by admin on Wed Aug 04 02:19:52 EDT 2021
IMPURITY -> PARENT
Mediator Substance Details
none
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Created by admin on Wed Aug 04 02:19:52 EDT 2021 , Edited by admin on Wed Aug 04 02:19:52 EDT 2021
IMPURITY -> PARENT
Mediator Substance Details
none
CHROMATOGRAPHIC PURITY (HPLC/UV)
correction factors: for the calculation of content, multiply the peak areas of the following impurity by the corresponding correction factor: impurity A = 0.5
EP
Created by admin on Wed Aug 04 02:19:52 EDT 2021 , Edited by admin on Wed Aug 04 02:19:52 EDT 2021
IMPURITY -> PARENT
Mediator Substance Details
none
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Created by admin on Wed Aug 04 02:19:52 EDT 2021 , Edited by admin on Wed Aug 04 02:19:52 EDT 2021
IMPURITY -> PARENT
Mediator Substance Details
none
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Created by admin on Wed Aug 04 02:19:52 EDT 2021 , Edited by admin on Wed Aug 04 02:19:52 EDT 2021
IMPURITY -> PARENT
Mediator Substance Details
none
CHROMATOGRAPHIC PURITY (HPLC/UV)
Water: maximum 1.0 per cent, determined on 0.250 g.
EP
Created by admin on Wed Aug 04 02:19:52 EDT 2021 , Edited by admin on Wed Aug 04 02:19:52 EDT 2021
IMPURITY -> PARENT
Mediator Substance Details
none
CHROMATOGRAPHIC PURITY (HPLC/UV)
correction factors: for the calculation of content, multiply the peak areas of the following impurity by the corresponding correction factor: impurity B = 0.5
EP
Created by admin on Wed Aug 04 02:19:52 EDT 2021 , Edited by admin on Wed Aug 04 02:19:52 EDT 2021
IMPURITY -> PARENT
Mediator Substance Details
none
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Created by admin on Wed Aug 04 02:19:52 EDT 2021 , Edited by admin on Wed Aug 04 02:19:52 EDT 2021
Related Record Type Details Access References
ACTIVE MOIETY
none
none
Mediator Substance Details
none
Created by admin on Wed Aug 04 02:19:52 EDT 2021 , Edited by admin on Wed Aug 04 02:19:52 EDT 2021
Note Access References
[Validation]WARNING:Each fragment should be present as a separate record in the database. Please register: CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(N)=O)NC(=O)C4=NC5=C(C=CC=C5)C=C4
[Validation]WARNING:Each fragment should be present as a separate record in the database. Please register: CS(O)(=O)=O
Created Wed Aug 04 02:19:52 EDT 2021
Created By admin
Last Edited Wed Aug 04 02:19:52 EDT 2021
Last Edited By admin
Index Source Text / Citation Source Type Tags Date Accessed File Access
1 KEGG 2011 SRS NOMEN
2 WEBSITE WEBSITE NOMEN PUBLIC_DOMAIN_RELEASE
3 USP DICTIONARY 2010 SRS NOMEN PUBLIC_DOMAIN_RELEASE AUTO_SELECTED
4 MERCK SRS NOMEN
5 USP DICTIONARY SRS NOMEN
6 European Pharmacopoeia Online 9.8, Saquinavir Mesilate Monograph EP PUBLIC_DOMAIN_RELEASE
7 dump-public-2021-07-22_UPDATED.gsrs BATCH_IMPORT Wed Aug 04 02:19:50 EDT 2021
8 European Pharmacopoeia Online 9.8, Saquinavir Mesilate Monograph EP PUBLIC_DOMAIN_RELEASE
9 SYSTEM
10 SAQUINAVIR MESYLATE [VANDF] SRS_LOCATOR
11 USP Dictionary 2010 SRS NOMEN
12 SAQUINAVIR METHANESULFONATE SALT [MI] SRS_LOCATOR
13 European Pharmacopoeia Online 9.8, Saquinavir Mesilate Monograph EP PUBLIC_DOMAIN_RELEASE
14 USP DICTIONARY 2011 SRS NOMEN
15 European Pharmacopoeia Online 9.8, Saquinavir Mesilate Monograph EP PUBLIC_DOMAIN_RELEASE
16 USP 33 SRS NOMEN
17 SAQUINAVIR MESILATE [EP] SRS_LOCATOR
18 SAQUINAVIR MESILATE [WHO-IP] SRS_LOCATOR
19 EP 10.5 EP
20 European Pharmacopoeia Online 9.8, Saquinavir Mesilate Monograph EP PUBLIC_DOMAIN_RELEASE
21 SRS import [UHB9Z3841A] SRS NOMEN Fri Apr 28 14:42:01 EDT 2017
22 SAQUINAVIR MESYLATE [ORANGE BOOK] SRS_LOCATOR
23 GSRS System-generated Validation messages VALIDATION_MESSAGE Wed Aug 04 02:19:50 EDT 2021
24 European Pharmacopoeia Online 9.8, Saquinavir Mesilate Monograph EP PUBLIC_DOMAIN_RELEASE
25 SAQUINAVIR MESYLATE [USAN] SRS_LOCATOR
26 USP 10/2020 USPNF
27 EP EP NOMEN PUBLIC_DOMAIN_RELEASE
28 EP 7.2 SRS NOMEN
29 SAQUINAVIR MESILATE [JAN] SRS_LOCATOR
30 WHO-IP SRS NOMEN
31 European Pharmacopoeia Online 9.8, Saquinavir Mesilate Monograph EP PUBLIC_DOMAIN_RELEASE
32 SAQUINAVIR MESILATE [MART.] SRS_LOCATOR
33 STN STN (SCIFINDER)
34 SAQUINAVIR MESILATE [WHO-DD] SRS_LOCATOR
35 SRS CODE IMPORT SRS NOMEN Fri Apr 28 14:42:01 EDT 2017
36 CHEMBL SRS NOMEN
37 SAQUINAVIR MESYLATE [USP] SRS_LOCATOR
38 SAQUINAVIR MESYLATE [USP-RS] SRS_LOCATOR
39 WHO-DD SRS NOMEN
40 NDF-RT SRS NOMEN
41 ORANGE BOOK 2011 SRS NOMEN
42 European Pharmacopoeia Online 9.8, Saquinavir Mesilate Monograph EP PUBLIC_DOMAIN_RELEASE
43 FDA-SRS 2010 SRS NOMEN
44 USP/NF SRS NOMEN
45 MARTINDALE 2011 SRS NOMEN

Molecular Formula C38H50N6O5
Molecular Weight 670.8408
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula CH4O3S
Molecular Weight 96.106
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE