PELABRESIB

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H16ClN3O2.H2O
Molecular Weight	383.828
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.CC1=NOC2=C1C3=C(C=CC=C3)C(=N[C@H]2CC(N)=O)C4=CC=C(Cl)C=C4

InChI

InChIKey=LXMGXMQQJNULPR-NTISSMGPSA-N

InChI=1S/C20H16ClN3O2.H2O/c1-11-18-14-4-2-3-5-15(14)19(12-6-8-13(21)9-7-12)23-16(10-17(22)25)20(18)26-24-11;/h2-9,16H,10H2,1H3,(H2,22,25);1H2/t16-;/m0./s1

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	C20H16ClN3O2
Molecular Weight	365.813
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 10:55:23 UTC 2023` Edited by `admin` on `Sat Dec 16 10:55:23 UTC 2023`
Record UNII	306QR91I9R
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

PELABRESIB

Official Name

English

PELABRESIB [USAN]

Common Name

English

PELABRESIB MONOHYDRATE

Common Name

English

Pelabresib [WHO-DD]

Common Name

English

CPI-0610

Code

English

4H-ISOXAZOLO(5,4-D)(2)BENZAZEPINE-4-ACETAMIDE, 6-(4-CHLOROPHENYL)-1-METHYL-, HYDRATE (1:1), (4S)-

Systematic Name

English

2-((4S)-6-(4-CHLOROPHENYL)-1-METHYL-4H-ISOXAZOLO(5,4-D)(2)BENZAZEPIN-4-YL)ACETAMIDE MONOHYDRATE

Systematic Name

English

2-((4S)-6-(4-CHLOROPHENYL)-1-METHYL-4H-BENZO(C)ISOXAZOLO(4,5-E)AZEPIN-4-YL)ACETAMIDE MONOHYDRATE

Systematic Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

710219