BMS-833923 DIMESYLATE MONOHYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C30H27N5O.2CH4O3S.H2O
Molecular Weight	683.795
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BMS-833923 DIMESYLATE MONOHYDRATE

Structure Search

SMILES

O.CS(O)(=O)=O.CS(O)(=O)=O.CNCC1=CC=C(C)C(NC(=O)C2=CC=C(NC3=NC4=C(C=CC=C4)C(=N3)C5=CC=CC=C5)C=C2)=C1

InChI

InChIKey=UYMWHMMVNCGRHJ-UHFFFAOYSA-N

InChI=1S/C30H27N5O.2CH4O3S.H2O/c1-20-12-13-21(19-31-2)18-27(20)33-29(36)23-14-16-24(17-15-23)32-30-34-26-11-7-6-10-25(26)28(35-30)22-8-4-3-5-9-22;2*1-5(2,3)4;/h3-18,31H,19H2,1-2H3,(H,33,36)(H,32,34,35);2*1H3,(H,2,3,4);1H2

HIDE SMILES / InChI

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	C30H27N5O
Molecular Weight	473.5683
Charge	0
Count

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

Molecular Formula	CH4O3S
Molecular Weight	96.106
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 04:54:37 UTC 2023` Edited by `admin` on `Sat Dec 16 04:54:37 UTC 2023`
Record UNII	483ONS63WN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BMS-833923 DIMESYLATE MONOHYDRATE

Code

English

N-(2-METHYL-5-((METHYL AMINO) METHYL) PHENYL)-4-(4-PHENYLQUINAZOLIN-2-YLAMINO) BENZAMIDE BISMESYLATE MONOHYDRATE

Systematic Name

English

Code System Code Type Description

NCI_THESAURUS

C77861