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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H36ClN3O4
Molecular Weight 454.003
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BMS-817399

SMILES

CC(C)[C@@H](NC(=O)NCC(C)(C)O)C(=O)N1CC[C@](O)(C2=CC=C(Cl)C=C2)C(C)(C)C1

InChI

InChIKey=GTDPZONCGOCXOD-JPYJTQIMSA-N
InChI=1S/C23H36ClN3O4/c1-15(2)18(26-20(29)25-13-22(5,6)30)19(28)27-12-11-23(31,21(3,4)14-27)16-7-9-17(24)10-8-16/h7-10,15,18,30-31H,11-14H2,1-6H3,(H2,25,26,29)/t18-,23+/m1/s1

HIDE SMILES / InChI

Molecular Formula C23H36ClN3O4
Molecular Weight 454.003
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:05:39 GMT 2023
Edited
by admin
on Sat Dec 16 08:05:39 GMT 2023
Record UNII
AKQ3X6FEH0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BMS-817399
Code English
UREA, N-((1R)-1-(((4S)-4-(4-CHLOROPHENYL)-4-HYDROXY-3,3-DIMETHYL-1-PIPERIDINYL)CARBONYL)-2-METHYLPROPYL)-N'-(2-HYDROXY-2-METHYLPROPYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
44537841
Created by admin on Sat Dec 16 08:05:39 GMT 2023 , Edited by admin on Sat Dec 16 08:05:39 GMT 2023
PRIMARY
CAS
1202400-18-7
Created by admin on Sat Dec 16 08:05:39 GMT 2023 , Edited by admin on Sat Dec 16 08:05:39 GMT 2023
PRIMARY
DRUG BANK
DB14941
Created by admin on Sat Dec 16 08:05:39 GMT 2023 , Edited by admin on Sat Dec 16 08:05:39 GMT 2023
PRIMARY
SMS_ID
300000042395
Created by admin on Sat Dec 16 08:05:39 GMT 2023 , Edited by admin on Sat Dec 16 08:05:39 GMT 2023
PRIMARY
CAS
1478140-54-3
Created by admin on Sat Dec 16 08:05:39 GMT 2023 , Edited by admin on Sat Dec 16 08:05:39 GMT 2023
NO STRUCTURE GIVEN
FDA UNII
AKQ3X6FEH0
Created by admin on Sat Dec 16 08:05:39 GMT 2023 , Edited by admin on Sat Dec 16 08:05:39 GMT 2023
PRIMARY
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