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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H27Cl2N3O7S
Molecular Weight 620.501
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RELCOVAPTAN

SMILES

COC1=C(OC)C=C(C=C1)S(=O)(=O)N2[C@@H](C(=O)N3CCC[C@H]3C(N)=O)[C@](O)(C4=CC(Cl)=CC=C24)C5=C(Cl)C=CC=C5

InChI

InChIKey=CEBYCSRFKCEUSW-NAYZPBBASA-N
InChI=1S/C28H27Cl2N3O7S/c1-39-23-12-10-17(15-24(23)40-2)41(37,38)33-21-11-9-16(29)14-19(21)28(36,18-6-3-4-7-20(18)30)25(33)27(35)32-13-5-8-22(32)26(31)34/h3-4,6-7,9-12,14-15,22,25,36H,5,8,13H2,1-2H3,(H2,31,34)/t22-,25-,28+/m0/s1

HIDE SMILES / InChI
Molecular Formula C28H27Cl2N3O7S
Molecular Weight 620.501
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Sat Dec 16 16:48:32 UTC 2023
Edited
by admin
on Sat Dec 16 16:48:32 UTC 2023
Record UNII
C1GL8G6G0O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RELCOVAPTAN
INN  
INN  
Official Name English
relcovaptan [INN]
Common Name English
2-PYRROLIDINECARBOXAMIDE, 1-(((2R,3S)-5-CHLORO-3-(2-CHLOROPHENYL)-1-((3,4-DIMETHOXYPHENYL)SULFONYL)-2,3-DIHYDRO-3-HYDROXY-1H-INDOL-2-YL)CARBONYL)-, (2S)-
Common Name English
(2S)-1-(((2R,3S)-5-CHLORO-3-(O-CHLOROPHENYL)-1-((3,4-DIMETHOXYPHENYL)SULFONYL)-3-HYDROXY-2-INDOLINYL)CARBONYL)-2-PYRROLIDINECARBOXAMIDE
Common Name English
SR-49059
Code English
SR49059
Code English
TDI-0134
Code English
Classification Tree Code System Code
NCI_THESAURUS C2180
Created by admin on Sat Dec 16 16:48:32 UTC 2023 , Edited by admin on Sat Dec 16 16:48:32 UTC 2023
Code System Code Type Description
WIKIPEDIA
RELCOVAPTAN
Created by admin on Sat Dec 16 16:48:32 UTC 2023 , Edited by admin on Sat Dec 16 16:48:32 UTC 2023
PRIMARY
INN
7809
Created by admin on Sat Dec 16 16:48:32 UTC 2023 , Edited by admin on Sat Dec 16 16:48:32 UTC 2023
PRIMARY
PUBCHEM
60943
Created by admin on Sat Dec 16 16:48:32 UTC 2023 , Edited by admin on Sat Dec 16 16:48:32 UTC 2023
PRIMARY
NCI_THESAURUS
C1497
Created by admin on Sat Dec 16 16:48:32 UTC 2023 , Edited by admin on Sat Dec 16 16:48:32 UTC 2023
PRIMARY
SMS_ID
300000034447
Created by admin on Sat Dec 16 16:48:32 UTC 2023 , Edited by admin on Sat Dec 16 16:48:32 UTC 2023
PRIMARY
CAS
150375-75-0
Created by admin on Sat Dec 16 16:48:32 UTC 2023 , Edited by admin on Sat Dec 16 16:48:32 UTC 2023
PRIMARY
FDA UNII
C1GL8G6G0O
Created by admin on Sat Dec 16 16:48:32 UTC 2023 , Edited by admin on Sat Dec 16 16:48:32 UTC 2023
PRIMARY
ChEMBL
CHEMBL419667
Created by admin on Sat Dec 16 16:48:32 UTC 2023 , Edited by admin on Sat Dec 16 16:48:32 UTC 2023
PRIMARY
EPA CompTox
DTXSID1045746
Created by admin on Sat Dec 16 16:48:32 UTC 2023 , Edited by admin on Sat Dec 16 16:48:32 UTC 2023
PRIMARY
DRUG BANK
DB13929
Created by admin on Sat Dec 16 16:48:32 UTC 2023 , Edited by admin on Sat Dec 16 16:48:32 UTC 2023
PRIMARY
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Related Record Type Details
Structure of RELCOVAPTAN
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