BEMCENTINIB

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H34N8
Molecular Weight	506.6446
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC1=NC(NC2=CC=C3CC[C@@H](CCC3=C2)N4CCCC4)=NN1C5=NN=C6C(CCCC7=C6C=CC=C7)=C5

InChI

InChIKey=KXMZDGSRSGHMMK-VWLOTQADSA-N

InChI=1S/C30H34N8/c31-29-33-30(32-24-13-10-20-11-14-25(15-12-22(20)18-24)37-16-3-4-17-37)36-38(29)27-19-23-8-5-7-21-6-1-2-9-26(21)28(23)35-34-27/h1-2,6,9-10,13,18-19,25H,3-5,7-8,11-12,14-17H2,(H3,31,32,33,36)/t25-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C30H34N8
Molecular Weight	506.6446
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 09:37:27 UTC 2023` Edited by `admin` on `Sat Dec 16 09:37:27 UTC 2023`
Record UNII	0ICW2LX8AS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BEMCENTINIB

Official Name

English

R-428

Code

English

1H-1,2,4-TRIAZOLE-3,5-DIAMINE, 1-(6,7-DIHYDRO-5H-BENZO(6,7)CYCLOHEPTA(1,2-C)PYRIDAZIN-3-YL)-N3-((7S)-6,7,8,9-TETRAHYDRO-7-(1-PYRROLIDINYL)-5H-BENZOCYCLOHEPTEN-2-YL)-

Systematic Name

English

BEMCENTINIB [USAN]

Common Name

English

bemcentinib [INN]

Common Name

English

W-5845

Code

English

1-(6,7-Dihydro-5H-benzo[6,7]cyclohepta[1,2-c]pyridazin-3-yl)-N3-[(7S)-7-(pyrrolidin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]-1H-1,2,4-triazole-3,5-diamine

Systematic Name

English

BGB-324

Code

English

KB-80319

Code

English

QC-11751

Code

English

HY-15150

Code

English

Bemcentinib [WHO-DD]

Common Name

English

CS-1046

Code

English

R428

Code

English

BGB324

Code

English

SYN-1131

Code

English

Classification Tree Code System Code

FDA ORPHAN DRUG

452314