DUVELISIB MONOHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H17ClN6O.H2O
Molecular Weight	434.878
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.C[C@H](NC1=C2N=CNC2=NC=N1)C3=CC4=C(C(Cl)=CC=C4)C(=O)N3C5=CC=CC=C5

InChI

InChIKey=FQLHRUBTGKTKPZ-ZOWNYOTGSA-N

InChI=1S/C22H17ClN6O.H2O/c1-13(28-21-19-20(25-11-24-19)26-12-27-21)17-10-14-6-5-9-16(23)18(14)22(30)29(17)15-7-3-2-4-8-15;/h2-13H,1H3,(H2,24,25,26,27,28);1H2/t13-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C22H17ClN6O
Molecular Weight	416.863
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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:24:26 UTC 2023` Edited by `admin` on `Sat Dec 16 14:24:26 UTC 2023`
Record UNII	4WD61MR063
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DUVELISIB MONOHYDRATE

Common Name

English

DUVELISIB HYDRATE [MI]

Common Name

English

DUVELISIB HYDRATE

Common Name

English

COPIKTRA

Brand Name

English

Duvelisib monohydrate [WHO-DD]

Common Name

English

1(2H)-ISOQUINOLINONE, 8-CHLORO-2-PHENYL-3-((1S)-1-(9H-PURIN-6-YLAMINO)ETHYL)-, HYDRATE

Systematic Name

English

1(2H)-ISOQUINOLINONE, 8-CHLORO-2-PHENYL-3-((1S)-1-(9H-PURIN-6-YLAMINO)ETHYL)-, HYDRATE (1:1)

Systematic Name

English

DUVELISIB HYDRATE [JAN]

Common Name

English

Code System Code Type Description

FDA UNII

4WD61MR063