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
R6ZMD4UH3D
Record Status Validated
Record Version
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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H33ClN4O2.CH4O3S
Molecular Weight 613.167
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0
Created by admin on Sat Jun 26 07:55:32 EDT 2021
Edited by GUEST on Wed Jul 21 15:42:57 EDT 2021
Structure of ISPINESIB MESYLATE

Systematic Names:

  • None recorded

SMILES

CS(O)(=O)=O.CC(C)[C@@H](N(CCCN)C(=O)C1=CC=C(C)C=C1)C2=NC3=CC(Cl)=CC=C3C(=O)N2CC4=CC=CC=C4

InChI

MRKSDPIHUJSKRA-HZPIKELBSA-N
InChI=1S/C30H33ClN4O2.CH4O3S/c1-20(2)27(34(17-7-16-32)29(36)23-12-10-21(3)11-13-23)28-33-26-18-24(31)14-15-25(26)30(37)35(28)19-22-8-5-4-6-9-22;1-5(2,3)4/h4-6,8-15,18,20,27H,7,16-17,19,32H2,1-3H3;1H3,(H,2,3,4)/t27-;/m1./s1
Name Type Language Details Access References
ISPINESIB MESYLATE
Domain Jurisdiction Naming Organization
drug  
USAN  
USAN  
Official Name
English  
SB-715992-S
Code
English  
N-(3-AMINOPROPYL)-N-((1R)-1-(3-BENZYL-7-CHLORO-4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)-2-METHYLPROPYL)-4-METHYLBENZAMIDE MONOMETHANESULPHONATE
Systematic Name
English  
ISPINESIB MESYLATE [USAN]
Common Name
English  
ISPINESIB MESILATE [WHO-DD]
Common Name
English  
ISPINESIB MESILATE
WHO-DD  
Common Name
English  
CK0238273
Code
English  
CK-0238273
Code
English  
BENZAMIDE, N-(3-AMINOPROPYL)-N-((1R)-1-(7-CHLORO-3,4-DIHYDRO-4-OXO-3-(PHENYLMETHYL)-2-QUINAZOLINYL)-2-METHYLPROPYL)-4-METHYL-, MONOMETHANESULFONATE
Systematic Name
English  
Classification Tree Code System Code Access References
NCI_THESAURUS C67440
Created by admin on Sat Jun 26 07:55:32 EDT 2021 , Edited by admin on Sat Jun 26 07:55:32 EDT 2021
Code System Code Type Description Access References
CAS
514820-03-2
Created by admin on Sat Jun 26 07:55:32 EDT 2021 , Edited by admin on Sat Jun 26 07:55:32 EDT 2021
PRIMARY
ChEMBL
CHEMBL2111096
Created by admin on Sat Jun 26 07:55:32 EDT 2021 , Edited by admin on Sat Jun 26 07:55:32 EDT 2021
PRIMARY
DRUG BANK
DBSALT001998
Created by admin on Sat Jun 26 07:55:32 EDT 2021 , Edited by admin on Sat Jun 26 07:55:32 EDT 2021
PRIMARY
EPA CompTox
514820-03-2
Created by admin on Sat Jun 26 07:55:32 EDT 2021 , Edited by admin on Sat Jun 26 07:55:32 EDT 2021
PRIMARY
FDA UNII
R6ZMD4UH3D
Created by admin on Sat Jun 26 07:55:32 EDT 2021 , Edited by admin on Sat Jun 26 07:55:32 EDT 2021
PRIMARY
NCI_THESAURUS
C77518
Created by admin on Sat Jun 26 07:55:32 EDT 2021 , Edited by admin on Sat Jun 26 07:55:32 EDT 2021
PRIMARY
PUBCHEM
6450816
Created by admin on Sat Jun 26 07:55:32 EDT 2021 , Edited by admin on Sat Jun 26 07:55:32 EDT 2021
PRIMARY
Related Record Type Details Access References
PARENT -> SALT/SOLVATE
none
none
Mediator Substance Details
none
Created by admin on Sat Jun 26 07:55:37 EDT 2021 , Edited by admin on Sat Jun 26 07:55:37 EDT 2021
PARENT -> SALT/SOLVATE
none
none
Mediator Substance Details
none
Created by admin on Sat Jun 26 07:55:32 EDT 2021 , Edited by admin on Sat Jun 26 07:55:32 EDT 2021
Related Record Type Details Access References
ACTIVE MOIETY
none
none
Mediator Substance Details
none
Created by admin on Sat Jun 26 07:55:37 EDT 2021 , Edited by admin on Sat Jun 26 07:55:37 EDT 2021
Note Access References
[Validation]WARNING:Code 'CHEMBL2111096'[ChEMBL] collides (possible duplicate) with existing code & codeSystem for substance:
[BKT5F9C2NI]ISPINESIB
Created Sat Jun 26 07:55:32 EDT 2021
Created By admin
Last Edited Sat Jun 26 07:55:32 EDT 2021
Last Edited By admin
Index Source Text / Citation Source Type Tags Date Accessed File Access
1 SRS import [R6ZMD4UH3D] SRS NOMEN Fri Apr 28 14:36:11 EDT 2017
2 GSRS System-generated Validation messages VALIDATION_MESSAGE Sat Jun 26 07:55:31 EDT 2021
3 STN STN (SCIFINDER)
4 USP DICTIONARY SRS NOMEN
5 SYSTEM
6 WHO-DD SRS NOMEN
7 FDA-SRS 2010 SRS NOMEN
8 WHO DRUG DICTIONARY WHO DRUG DICTIONARY NOMEN
9 USP DICTIONARY 2011 SRS NOMEN
10 USAN COUN 2004 USANCOUN NOMEN PUBLIC_DOMAIN_RELEASE
11 dump-public-2021-06-23_UPDATED.gsrs BATCH_IMPORT Sat Jun 26 07:55:31 EDT 2021
12 USP DICTIONARY 2008 SRS NOMEN PUBLIC_DOMAIN_RELEASE AUTO_SELECTED
13 SRS CODE IMPORT SRS NOMEN Fri Apr 28 14:36:11 EDT 2017
14 ISPINESIB MESYLATE [USAN] SRS_LOCATOR
15 ISPINESIB MESILATE [WHO-DD] SRS_LOCATOR
16 WEBSITE WEBSITE NOMEN PUBLIC_DOMAIN_RELEASE

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

Molecular Formula C30H33ClN4O2
Molecular Weight 517.062
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED