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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H23N5O2S2.ClH
Molecular Weight 526.073
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BMS-214662 HYDROCHLORIDE

SMILES

Cl.O=S(=O)(N1CC2=C(C=CC(=C2)C#N)N(CC3=CN=CN3)C[C@H]1CC4=CC=CC=C4)C5=CC=CS5

InChI

InChIKey=LBPFLNDUCNNGPS-GNAFDRTKSA-N
InChI=1S/C25H23N5O2S2.ClH/c26-13-20-8-9-24-21(11-20)15-30(34(31,32)25-7-4-10-33-25)23(12-19-5-2-1-3-6-19)17-29(24)16-22-14-27-18-28-22;/h1-11,14,18,23H,12,15-17H2,(H,27,28);1H/t23-;/m1./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C25H23N5O2S2
Molecular Weight 489.612
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:18:27 UTC 2023
Edited
by admin
on Sat Dec 16 08:18:27 UTC 2023
Record UNII
2ZRT8VWQ9J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BMS-214662 HYDROCHLORIDE
Common Name English
1H-1,4-BENZODIAZEPINE-7-CARBONITRILE, 2,3,4,5-TETRAHYDRO-1-(1H-IMIDAZOL-5-YLMETHYL)-3-(PHENYLMETHYL)-4-(2-THIENYLSULFONYL)-, HYDROCHLORIDE (1:1), (3R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
44189294
Created by admin on Sat Dec 16 08:18:27 UTC 2023 , Edited by admin on Sat Dec 16 08:18:27 UTC 2023
PRIMARY
FDA UNII
2ZRT8VWQ9J
Created by admin on Sat Dec 16 08:18:27 UTC 2023 , Edited by admin on Sat Dec 16 08:18:27 UTC 2023
PRIMARY
CAS
195981-08-9
Created by admin on Sat Dec 16 08:18:27 UTC 2023 , Edited by admin on Sat Dec 16 08:18:27 UTC 2023
PRIMARY
DRUG BANK
DBSALT002163
Created by admin on Sat Dec 16 08:18:27 UTC 2023 , Edited by admin on Sat Dec 16 08:18:27 UTC 2023
PRIMARY
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