BMS-191095 HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H21ClN4O2.ClH
Molecular Weight	445.342
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.CC1(C)OC2=CC=C(C=C2[C@@H]([C@H]1O)N(CC3=NC=CN3)C4=CC=C(Cl)C=C4)C#N

InChI

InChIKey=TZLMTXNZECPICU-JUDYQFGCSA-N

InChI=1S/C22H21ClN4O2.ClH/c1-22(2)21(28)20(17-11-14(12-24)3-8-18(17)29-22)27(13-19-25-9-10-26-19)16-6-4-15(23)5-7-16;/h3-11,20-21,28H,13H2,1-2H3,(H,25,26);1H/t20-,21+;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C22H21ClN4O2
Molecular Weight	408.881
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

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

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:14:53 GMT 2025` Edited by `admin` on `Mon Mar 31 18:14:53 GMT 2025`
Record UNII	3I2CFR0UVU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BMS-191095 HYDROCHLORIDE

Systematic Name

English

2H-1-BENZOPYRAN-6-CARBONITRILE, 4-((4-CHLOROPHENYL)(1H-IMIDAZOL-2-YLMETHYL)AMINO)-3,4-DIHYDRO-3-HYDROXY-2,2-DIMETHYL-, MONOHYDROCHLORIDE, (3R,4S)-

Preferred Name

English

4-((4-CHLOROPHENYL)(1H-IMIDAZOL-2-YLMETHYL)AMINO)-3,4-DIHYDRO-3-HYDROXY-2,2-DIMETHYL-2H-1-BENZOPYRAN-6-CARBONITRILE HYDROCHLORIDE (3R-TRANS)

Systematic Name

English

Code System Code Type Description

FDA UNII

3I2CFR0UVU

Created by admin on Mon Mar 31 18:14:53 GMT 2025 , Edited by admin on Mon Mar 31 18:14:53 GMT 2025

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PUBCHEM

24835282

Created by admin on Mon Mar 31 18:14:53 GMT 2025 , Edited by admin on Mon Mar 31 18:14:53 GMT 2025

PRIMARY

CAS

166095-95-0

Created by admin on Mon Mar 31 18:14:53 GMT 2025 , Edited by admin on Mon Mar 31 18:14:53 GMT 2025

PRIMARY

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BMS-191095

PARENT -> SALT/SOLVATE