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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H34Cl2FN3O3
Molecular Weight 562.503
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SAR-405838

SMILES

CC(C)(C)C[C@@H]1N[C@H]([C@H](C2=C(F)C(Cl)=CC=C2)[C@]13C(=O)NC4=C3C=CC(Cl)=C4)C(=O)N[C@H]5CC[C@H](O)CC5

InChI

InChIKey=IDKAKZRYYDCJDU-HBMMIIHUSA-N
InChI=1S/C29H34Cl2FN3O3/c1-28(2,3)14-22-29(19-12-7-15(30)13-21(19)34-27(29)38)23(18-5-4-6-20(31)24(18)32)25(35-22)26(37)33-16-8-10-17(36)11-9-16/h4-7,12-13,16-17,22-23,25,35-36H,8-11,14H2,1-3H3,(H,33,37)(H,34,38)/t16-,17-,22-,23-,25+,29+/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H34Cl2FN3O3
Molecular Weight 562.503
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:33:28 UTC 2023
Edited
by admin
on Sat Dec 16 08:33:28 UTC 2023
Record UNII
8570LZ3RCA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SAR-405838
Common Name English
(2'S,3'R,4'S,5'R)-6-CHLORO-4'-(3-CHLORO-2-FLUORO-PHENYL)-2'-(2,2-DIMETHYL-PROPYL)-2-OXO-1,2-DIHYDRO-SPIRO (INDOLE-3,3'-PYRROLIDINE)-5'-CARBOXYLIC ACID (TRANS-4-HYDROXY-CYCLOHEXYL)-AMIDE
Systematic Name English
SAR 405838 [WHO-DD]
Common Name English
SPIRO(3H-INDOLE-3,3'-PYRROLIDINE)-5'-CARBOXAMIDE, 6-CHLORO-4'-(3-CHLORO-2-FLUOROPHENYL)-2'-(2,2-DIMETHYLPROPYL)-1,2-DIHYDRO-N-(TRANS-4-HYDROXYCYCLOHEXYL)-2-OXO-, (2'S,3R,4'S,5'R)-
Systematic Name English
SAR405838
Code English
(2'S,3R,4'S,5'R)-6-CHLORO-4'-(3-CHLORO-2-FLUOROPHENYL)-2'-(2,2-DIMETHYLPROPYL)-N-(TRANS-4-HYDROXYCYCLOHEXYL)-2-OXO-1,2-DIHYDROSPIRO(INDOLE-3,3'-PYRROLIDINE)-5'-CARBOXAMIDE
Systematic Name English
MI-77301
Code English
Code System Code Type Description
FDA UNII
8570LZ3RCA
Created by admin on Sat Dec 16 08:33:28 UTC 2023 , Edited by admin on Sat Dec 16 08:33:28 UTC 2023
PRIMARY
SMS_ID
300000041398
Created by admin on Sat Dec 16 08:33:28 UTC 2023 , Edited by admin on Sat Dec 16 08:33:28 UTC 2023
PRIMARY
NCI_THESAURUS
C106120
Created by admin on Sat Dec 16 08:33:28 UTC 2023 , Edited by admin on Sat Dec 16 08:33:28 UTC 2023
PRIMARY
DRUG BANK
DB12541
Created by admin on Sat Dec 16 08:33:28 UTC 2023 , Edited by admin on Sat Dec 16 08:33:28 UTC 2023
PRIMARY
CAS
1303607-60-4
Created by admin on Sat Dec 16 08:33:28 UTC 2023 , Edited by admin on Sat Dec 16 08:33:28 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
BINDING
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY