ABROCITINIB

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H21N5O2S
Molecular Weight	323.414
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ABROCITINIB

Structure Search

SMILES

CCCS(=O)(=O)N[C@H]1C[C@H](C1)N(C)C2=NC=NC3=C2C=CN3

InChI

InChIKey=IUEWXNHSKRWHDY-PHIMTYICSA-N

InChI=1S/C14H21N5O2S/c1-3-6-22(20,21)18-10-7-11(8-10)19(2)14-12-4-5-15-13(12)16-9-17-14/h4-5,9-11,18H,3,6-8H2,1-2H3,(H,15,16,17)/t10-,11+

HIDE SMILES / InChI

Approval Year

Name

Type

Language

ABROCITINIB

Official Name

English

PF-04965842

Code

English

CIBINQO

Brand Name

English

N-{cis-3-[Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide

Systematic Name

English

ABROCITINIB [JAN]

Common Name

English

1-PROPANESULFONAMIDE, N-(CIS-3-(METHYL-7H-PYRROLO(2,3-D)PYRIMIDIN-4-YLAMINO)CYCLOBUTYL)-

Systematic Name

English

abrocitinib [INN]

Common Name

English

N-((1S,3S)-3-(METHYL(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)AMINO)CYCLOBUTYL)PROPANE-1-SULFONAMIDE

Systematic Name

English

ABROCITINIB [USAN]

Common Name

English

N-(3-(METHYL(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)AMINO)CYCLOBUTYL)PROPANE-1-SULFONAMIDE, CIS-

Systematic Name

English

Abrocitinib [WHO-DD]

Common Name

English

Code System Code Type Description

ChEMBL

CHEMBL3544929

Created by admin on Sat Dec 16 08:58:59 UTC 2023 , Edited by admin on Sat Dec 16 08:58:59 UTC 2023

PRIMARY

PUBCHEM

78323835

Created by admin on Sat Dec 16 08:58:59 UTC 2023 , Edited by admin on Sat Dec 16 08:58:59 UTC 2023

PRIMARY

CAS

1622902-68-4

Created by admin on Sat Dec 16 08:58:59 UTC 2023 , Edited by admin on Sat Dec 16 08:58:59 UTC 2023

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SMS_ID

300000002660

Created by admin on Sat Dec 16 08:58:59 UTC 2023 , Edited by admin on Sat Dec 16 08:58:59 UTC 2023

PRIMARY

RXCUI

2591476

Created by admin on Sat Dec 16 08:58:59 UTC 2023 , Edited by admin on Sat Dec 16 08:58:59 UTC 2023

PRIMARY

EPA CompTox

DTXSID301126581

Created by admin on Sat Dec 16 08:58:59 UTC 2023 , Edited by admin on Sat Dec 16 08:58:59 UTC 2023

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NCI_THESAURUS

C166985

Created by admin on Sat Dec 16 08:58:59 UTC 2023 , Edited by admin on Sat Dec 16 08:58:59 UTC 2023

PRIMARY

FDA UNII

73SM5SF3OR

Created by admin on Sat Dec 16 08:58:59 UTC 2023 , Edited by admin on Sat Dec 16 08:58:59 UTC 2023

PRIMARY

USAN

FG-31

Created by admin on Sat Dec 16 08:58:59 UTC 2023 , Edited by admin on Sat Dec 16 08:58:59 UTC 2023

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DRUG BANK

DB14973

Created by admin on Sat Dec 16 08:58:59 UTC 2023 , Edited by admin on Sat Dec 16 08:58:59 UTC 2023

PRIMARY

WIKIPEDIA

Abrocitinib

Created by admin on Sat Dec 16 08:58:59 UTC 2023 , Edited by admin on Sat Dec 16 08:58:59 UTC 2023

PRIMARY

DAILYMED

73SM5SF3OR

Created by admin on Sat Dec 16 08:58:59 UTC 2023 , Edited by admin on Sat Dec 16 08:58:59 UTC 2023

PRIMARY

INN

11012

Created by admin on Sat Dec 16 08:58:59 UTC 2023 , Edited by admin on Sat Dec 16 08:58:59 UTC 2023

PRIMARY

ACTIVE MOIETY


					73SM5SF3OR

METABOLITE (PARENT)


					525QBJ4XJG

METABOLITE ACTIVE (PARENT)


					YA4DQK8CAT

ABROCITINIB METABOLITE M1

METABOLITE ACTIVE (PARENT)


					MXH6JPD2F8

ABROCITINIB METABOLITE M2

METABOLITE ACTIVE (PARENT)


					F4CFC52G5E

ABROCITINIB METABOLITE M4

METABOLITE ACTIVE (PARENT)


					967GZ3CL34

ABROCITINIB METABOLITE M3