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
IIU6V0W3JD
Record Status Validated
Record Version
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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H35F7N4O2
Molecular Weight 628.624
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0
Created by admin on Fri Jun 25 23:50:53 EDT 2021
Edited by GUEST on Wed Jul 21 16:01:18 EDT 2021
Structure of ORVEPITANT

Systematic Names:

  • None recorded

SMILES

[H][C@@]12CCC(=O)N1CCN(C2)[C@H]3CCN([C@H](C3)C4=CC=C(F)C=C4C)C(=O)N(C)[C@H](C)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

InChI

XWNBGDJPEXZSQM-VZOBGQTKSA-N
InChI=1S/C31H35F7N4O2/c1-18-12-23(32)4-6-26(18)27-16-24(40-10-11-41-25(17-40)5-7-28(41)43)8-9-42(27)29(44)39(3)19(2)20-13-21(30(33,34)35)15-22(14-20)31(36,37)38/h4,6,12-15,19,24-25,27H,5,7-11,16-17H2,1-3H3/t19-,24+,25+,27-/m1/s1
Name Type Language Details Access References
ORVEPITANT
Domain Jurisdiction Naming Organization
drug  
INN   USAN  
INN   USAN  
Official Name
English  
ORVEPITANT [USAN]
Common Name
English  
ORVEPITANT [INN]
Common Name
English  
GW823296X
Code
English  
GW-823296X
Code
English  
GW-823296
Common Name
English  
1-PIPERIDINECARBOXAMIDE, N-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHYL)-2-(4-FLUORO-2-METHYLPHENYL)-4-((8AS)-HEXAHYDRO-6-OXOPYRROLO(1,2-A)PYRAZIN-2(1H)-YL)-N-METHYL-, (2R,4S)-
Common Name
English  
(2R,4S)-N-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHYL)-2-(4-FLUORO-2-METHYLPHENYL)-N-METHYL-4-((8AS)-6-OXOHEXAHYDRO-1H-PYRROLO(1,2-A)PYRAZIN-2-YL)PIPERIDINE-1-CARBOXAMIDE
Common Name
English  
Classification Tree Code System Code Access References
NCI_THESAURUS C265
Created by admin on Fri Jun 25 23:50:53 EDT 2021 , Edited by admin on Fri Jun 25 23:50:53 EDT 2021
NCI_THESAURUS C28197
Created by admin on Fri Jun 25 23:50:53 EDT 2021 , Edited by admin on Fri Jun 25 23:50:53 EDT 2021
Code System Code Type Description Access References
CAS
579475-18-6
Created by admin on Fri Jun 25 23:50:53 EDT 2021 , Edited by admin on Fri Jun 25 23:50:53 EDT 2021
PRIMARY
ChEMBL
CHEMBL2105667
Created by admin on Fri Jun 25 23:50:53 EDT 2021 , Edited by admin on Fri Jun 25 23:50:53 EDT 2021
PRIMARY
DRUG BANK
DB12427
Created by admin on Fri Jun 25 23:50:53 EDT 2021 , Edited by admin on Fri Jun 25 23:50:53 EDT 2021
PRIMARY
FDA UNII
IIU6V0W3JD
Created by admin on Fri Jun 25 23:50:53 EDT 2021 , Edited by admin on Fri Jun 25 23:50:53 EDT 2021
PRIMARY
INN
8684
Created by admin on Fri Jun 25 23:50:53 EDT 2021 , Edited by admin on Fri Jun 25 23:50:53 EDT 2021
PRIMARY
NCI_THESAURUS
C90613
Created by admin on Fri Jun 25 23:50:53 EDT 2021 , Edited by admin on Fri Jun 25 23:50:53 EDT 2021
PRIMARY
PUBCHEM
9852175
Created by admin on Fri Jun 25 23:50:53 EDT 2021 , Edited by admin on Fri Jun 25 23:50:53 EDT 2021
PRIMARY
Related Record Type Details Access References
TARGET -> INHIBITOR
none
Mediator Substance Details
none
Created by admin on Fri Jun 25 23:50:53 EDT 2021 , Edited by admin on Fri Jun 25 23:50:53 EDT 2021
SALT/SOLVATE -> PARENT
none
none
Mediator Substance Details
none
Created by admin on Fri Jun 25 23:50:53 EDT 2021 , Edited by admin on Fri Jun 25 23:50:53 EDT 2021
SALT/SOLVATE -> PARENT
none
none
Mediator Substance Details
none
Created by admin on Fri Jun 25 23:50:53 EDT 2021 , Edited by admin on Fri Jun 25 23:50:53 EDT 2021
Related Record Type Details Access References
ACTIVE MOIETY
none
none
Mediator Substance Details
none
Created by admin on Fri Jun 25 23:50:54 EDT 2021 , Edited by admin on Fri Jun 25 23:50:54 EDT 2021
Created Fri Jun 25 23:50:53 EDT 2021
Created By admin
Last Edited Fri Jun 25 23:50:53 EDT 2021
Last Edited By admin
Index Source Text / Citation Source Type Tags Date Accessed File Access
1 Di Fabio R, Alvaro G, Braggio S, Carletti R, Gerrard PA, Griffante C, Marchioro C, Pozzan A, Melotto S, Poffe A, Piccoli L, Ratti E, Tranquillini E, Trower M, Spada S, Corsi M. Identification, biological characterization and pharmacophoric analysis of a new potent and selective NK1 receptor antagonist clinical candidate. Bioorg Med Chem. 2013 Nov 1;21(21):6264-73. doi: 10.1016/j.bmc.2013.09.001. JA
2 USP DICTIONARY 2011 SRS NOMEN
3 STN STN (SCIFINDER)
4 SRS CODE IMPORT SRS NOMEN Fri Apr 28 14:45:55 EDT 2017
5 dump-public-2021-06-23_UPDATED.gsrs BATCH_IMPORT Fri Jun 25 23:50:52 EDT 2021
6 ORVEPITANT [INN] SRS_LOCATOR
7 FDA_SRS SRS NOMEN
8 https://clinicaltrials.gov/ct2/show/NCT01000493 CLINICALTRIALS
9 USAN COUN 2009 SRS NOMEN
10 ORVEPITANT [USAN] SRS_LOCATOR
11 USP DICTIONARY 2009 SRS NOMEN PUBLIC_DOMAIN_RELEASE AUTO_SELECTED
12 INN Proposed List 94 INN_LIST PUBLIC_DOMAIN_RELEASE
13 SRS import [IIU6V0W3JD] SRS NOMEN Fri Apr 28 14:45:55 EDT 2017
14 USAN COUN 2009 USANCOUN NOMEN PUBLIC_DOMAIN_RELEASE
15 SYSTEM

Molecular Formula C31H35F7N4O2
Molecular Weight 628.624
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED