SB-743921 HYDROCHLORIDE MONOHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H33ClN2O3.ClH.H2O
Molecular Weight	571.535
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SB-743921 HYDROCHLORIDE MONOHYDRATE

Structure Search

SMILES

O.Cl.CC(C)[C@@H](N(CCCN)C(=O)C1=CC=C(C)C=C1)C2=C(CC3=CC=CC=C3)C(=O)C4=CC=C(Cl)C=C4O2

InChI

InChIKey=NQTWWZJMPSVNTQ-QDSLRZTOSA-N

InChI=1S/C31H33ClN2O3.ClH.H2O/c1-20(2)28(34(17-7-16-33)31(36)23-12-10-21(3)11-13-23)30-26(18-22-8-5-4-6-9-22)29(35)25-15-14-24(32)19-27(25)37-30;;/h4-6,8-15,19-20,28H,7,16-18,33H2,1-3H3;1H;1H2/t28-;;/m1../s1

HIDE SMILES / InChI

Molecular Formula	C31H33ClN2O3
Molecular Weight	517.058
Charge	0
Count

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

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

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

Targets

Primary Target	Pharmacology	Condition	Potency
Kinesin-like protein KIF11 5 Target ID: P52732 Gene ID: 3832.0 Gene Symbol: KIF11 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/25860245	Inhibitor 8297

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:53:45 GMT 2023` Edited by `admin` on `Fri Dec 15 15:53:45 GMT 2023`
Record UNII	511W07DGWZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SB-743921 HYDROCHLORIDE MONOHYDRATE

Code

English

BENZAMIDE, N-(3-AMINOPROPYL)-N-(1-(7-CHLORO-4-OXO-3-(PHENYLMETHYL)-4H-1-BENZOPYRAN-2-YL)-2-METHYLPROPYL)-4-METHYL-, MONOHYDROCHLORIDE, MONOHYDRATE

Systematic Name

English

BENZAMIDE, N-(3-AMINOPROPYL)-N-((1R)-1-(7-CHLORO-4-OXO-3-(PHENYLMETHYL)-4H-1-BENZOPYRAN-2-YL)-2-METHYLPROPYL)-4-METHYL-, MONOHYDROCHLORIDE, MONOHYDRATE

Systematic Name

English

N-(3-AMINOPROPYL)-N-(1-(3-BENZYL-7-CHLORO-4-OXO-4H-CHROMEN-2-YL)-2-METHYLPROPYL)-4-METHYLBENZAMIDE HYDROCHLORIDE HYDRATE

Systematic Name

English

Code System Code Type Description

FDA UNII

511W07DGWZ

Created by admin on Fri Dec 15 15:53:45 GMT 2023 , Edited by admin on Fri Dec 15 15:53:45 GMT 2023

PRIMARY

PUBCHEM

56644926