QUEMLICLUSTAT

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H24ClFN4O9P2
Molecular Weight	580.825
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H](NC1=C2C=NN([C@@H]3O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC(Cl)=C1)C4=C(F)C=CC=C4

InChI

InChIKey=MFYLCAMJNGIULC-KCVUFLITSA-N

InChI=1S/C20H24ClFN4O9P2/c1-10(11-4-2-3-5-13(11)22)24-14-6-16(21)25-19-12(14)7-23-26(19)20-18(28)17(27)15(35-20)8-34-37(32,33)9-36(29,30)31/h2-7,10,15,17-18,20,27-28H,8-9H2,1H3,(H,24,25)(H,32,33)(H2,29,30,31)/t10-,15+,17+,18+,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H24ClFN4O9P2
Molecular Weight	580.825
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:52:16 GMT 2023` Edited by `admin` on `Sat Dec 16 14:52:16 GMT 2023`
Record UNII	J6K8WSV73A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

QUEMLICLUSTAT

Official Name

English

1H-Pyrazolo[3,4-b]pyridin-4-amine, 6-chloro-N-[(1S)-1-(2-fluorophenyl)ethyl]-1-[5-O-[hydroxy(phosphonomethyl)phosphinyl]-β-D-ribofuranosyl]-

Systematic Name

English

QUEMLICLUSTAT [USAN]

Common Name

English

Quemliclustat [WHO-DD]

Common Name

English

quemliclustat [INN]

Common Name

English

2-chloro-N6 -[(1S)-1-(2-fluorophenyl)ethyl]-8-aza-1,7- dicarbaadenosine 5'- (trihydrogen 2-carbadiphosphate)

Systematic Name

English

AB680

Code

English

AB-680

Code

English

Code System Code Type Description

FDA UNII

J6K8WSV73A