U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C30H32ClN3O8S
Molecular Weight 630.108
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NELIVAPTAN

SMILES

COC1=CC=C(C(OC)=C1)S(=O)(=O)N2C(=O)[C@@](N3C[C@H](O)C[C@H]3C(=O)N(C)C)(C4=CC(Cl)=CC=C24)C5=C(OC)C=CC=C5

InChI

InChIKey=NJXZWIIMWNEOGJ-WEWKHQNJSA-N
InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
NELIVAPTAN
INN   WHO-DD  
INN  
Official Name English
SR-149415
Code English
2-PYRROLIDINECARBOXAMIDE, 1-((3R)-5-CHLORO-1-((2,4-DIMETHOXYPHENYL)SULFONYL)-2,3-DIHYDRO-3-(2-METHOXYPHENYL)-2-OXO-1H-INDOL-3-YL)-4-HYDROXY-N,N-DIMETHYL-, (2S,4R)-
Common Name English
nelivaptan [INN]
Common Name English
Nelivaptan [WHO-DD]
Common Name English
SSR149415
Code English
SSR-149,415
Code English
SSR-149415
Code English
Classification Tree Code System Code
NCI_THESAURUS C2180
Created by admin on Fri Dec 15 16:26:20 UTC 2023 , Edited by admin on Fri Dec 15 16:26:20 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C132046
Created by admin on Fri Dec 15 16:26:20 UTC 2023 , Edited by admin on Fri Dec 15 16:26:20 UTC 2023
PRIMARY
INN
8903
Created by admin on Fri Dec 15 16:26:20 UTC 2023 , Edited by admin on Fri Dec 15 16:26:20 UTC 2023
PRIMARY
WIKIPEDIA
NELIVAPTAN
Created by admin on Fri Dec 15 16:26:20 UTC 2023 , Edited by admin on Fri Dec 15 16:26:20 UTC 2023
PRIMARY
CAS
439687-69-1
Created by admin on Fri Dec 15 16:26:20 UTC 2023 , Edited by admin on Fri Dec 15 16:26:20 UTC 2023
PRIMARY
EPA CompTox
DTXSID7047358
Created by admin on Fri Dec 15 16:26:20 UTC 2023 , Edited by admin on Fri Dec 15 16:26:20 UTC 2023
PRIMARY
PUBCHEM
9895468
Created by admin on Fri Dec 15 16:26:20 UTC 2023 , Edited by admin on Fri Dec 15 16:26:20 UTC 2023
PRIMARY
DRUG BANK
DB12643
Created by admin on Fri Dec 15 16:26:20 UTC 2023 , Edited by admin on Fri Dec 15 16:26:20 UTC 2023
PRIMARY
FDA UNII
3TY57MQ4OA
Created by admin on Fri Dec 15 16:26:20 UTC 2023 , Edited by admin on Fri Dec 15 16:26:20 UTC 2023
PRIMARY
ChEMBL
CHEMBL582857
Created by admin on Fri Dec 15 16:26:20 UTC 2023 , Edited by admin on Fri Dec 15 16:26:20 UTC 2023
PRIMARY
SMS_ID
300000034349
Created by admin on Fri Dec 15 16:26:20 UTC 2023 , Edited by admin on Fri Dec 15 16:26:20 UTC 2023
PRIMARY