MOLIBRESIB BESYLATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H22ClN5O2.C6H6O3S
Molecular Weight	582.07
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OS(=O)(=O)C1=CC=CC=C1.CCNC(=O)C[C@@H]2N=C(C3=CC=C(Cl)C=C3)C4=CC(OC)=CC=C4N5C(C)=NN=C25

InChI

InChIKey=UQGMFOYDYUZADE-FERBBOLQSA-N

InChI=1S/C22H22ClN5O2.C6H6O3S/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14;7-10(8,9)6-4-2-1-3-5-6/h5-11,18H,4,12H2,1-3H3,(H,24,29);1-5H,(H,7,8,9)/t18-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C22H22ClN5O2
Molecular Weight	423.895
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C6H6O3S
Molecular Weight	158.175
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 `Sat Dec 16 14:07:26 UTC 2023` Edited by `admin` on `Sat Dec 16 14:07:26 UTC 2023`
Record UNII	K04D7I4BCH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MOLIBRESIB BESYLATE

Official Name

English

GSK525762C

Code

English

2-[(4S)-6-(4-Chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide monobenzenesulfonate salt

Systematic Name

English

GSK-525762C

Code

English

MOLIBRESIB BESYLATE [USAN]

Common Name

English

4H-(1,2,4)TRIAZOLO(4,3-A)(1,4)BENZODIAZEPINE-4-ACETAMIDE, 6-(4-CHLOROPHENYL)-N-ETHYL-8-METHOXY-1-METHYL-, (4S)-, COMPD. WITH BENZENESULFONATE (1:1)

Systematic Name

English

Code System Code Type Description

CAS

1895049-20-3