ABT-737

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C42H45ClN6O5S2
Molecular Weight	813.427
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN(C)CC[C@H](CSC1=CC=CC=C1)NC2=CC=C(C=C2[N+]([O-])=O)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC5=CC=CC=C5C6=CC=C(Cl)C=C6)CC4

InChI

InChIKey=HPLNQCPCUACXLM-PGUFJCEWSA-N

InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C42H45ClN6O5S2
Molecular Weight	813.427
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 05:31:10 UTC 2023` Edited by `admin` on `Sat Dec 16 05:31:10 UTC 2023`
Record UNII	Z5NFR173NV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ABT-737

Common Name

English

BENZAMIDE, 4-(4-((4'-CHLORO(1,1'-BIPHENYL)-2-YL)METHYL)-1-PIPERAZINYL)-N-((4-(((1R)-3-(DIMETHYLAMINO)-1-((PHENYLTHIO)METHYL)PROPYL)AMINO)-3-NITROPHENYL)SULFONYL)-

Common Name

English

ABT 737 [WHO-DD]

Common Name

English

Code System Code Type Description

PUBCHEM

11228183