BREPOCITINIB C-14

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H21F2N7O
Molecular Weight	391.395
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[14CH3]N1C=C(NC2=NC=CC(=N2)N3C[C@@H]4CC[C@H](C3)N4C(=O)[C@@H]5CC5(F)F)C=N1

InChI

InChIKey=BUWBRTXGQRBBHG-USEDCXRESA-N

InChI=1S/C18H21F2N7O/c1-25-8-11(7-22-25)23-17-21-5-4-15(24-17)26-9-12-2-3-13(10-26)27(12)16(28)14-6-18(14,19)20/h4-5,7-8,12-14H,2-3,6,9-10H2,1H3,(H,21,23,24)/t12-,13+,14-/m0/s1/i1+2

HIDE SMILES / InChI

Molecular Formula	C18H21F2N7O
Molecular Weight	391.395
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 12:14:56 GMT 2025` Edited by `admin` on `Wed Apr 02 12:14:56 GMT 2025`
Record UNII	NQ47E2WH5M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BREPOCITINIB C-14

Common Name

English

PF-06700841 C-14

Preferred Name

English

(1S)-2,2-DIFLUOROCYCLOPROPYL)(3-(2-((1-(14C)-METHYL-1H-PYRAZOL-4-YL)AMINO)PYRIMIDIN-4-YL)-3,8-DIAZABICYCLO(3.2.1)OCTAN-8-YL)METHANONE

Systematic Name

English

Code System Code Type Description

PUBCHEM

166451395

Created by admin on Wed Apr 02 12:14:56 GMT 2025 , Edited by admin on Wed Apr 02 12:14:56 GMT 2025

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FDA UNII

NQ47E2WH5M

Created by admin on Wed Apr 02 12:14:56 GMT 2025 , Edited by admin on Wed Apr 02 12:14:56 GMT 2025

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