BUTYL 3-((3R,4R)-4-METHYL-3-(METHYL(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)AMINO)PIPERIDIN-1-YL)-3-OXOPROPANOATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H29N5O3
Molecular Weight	387.476
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BUTYL 3-((3R,4R)-4-METHYL-3-(METHYL(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)AMINO)PIPERIDIN-1-YL)-3-OXOPROPANOATE

Structure Search

SMILES

CCCCOC(=O)CC(=O)N1CC[C@@H](C)[C@H](C1)N(C)C2=C3C=CNC3=NC=N2

InChI

InChIKey=IQFJFTIXSPNYQX-ZBFHGGJFSA-N

InChI=1S/C20H29N5O3/c1-4-5-10-28-18(27)11-17(26)25-9-7-14(2)16(12-25)24(3)20-15-6-8-21-19(15)22-13-23-20/h6,8,13-14,16H,4-5,7,9-12H2,1-3H3,(H,21,22,23)/t14-,16+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H29N5O3
Molecular Weight	387.476
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:11:52 GMT 2023` Edited by `admin` on `Sat Dec 16 19:11:52 GMT 2023`
Record UNII	EXA92262Y4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BUTYL 3-((3R,4R)-4-METHYL-3-(METHYL(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)AMINO)PIPERIDIN-1-YL)-3-OXOPROPANOATE

Common Name

English

TOFACITINIB N-BUTYL 3-OXOPROPANOATE

Common Name

English

1-PIPERIDINEPROPANOIC ACID, 4-METHYL-3-(METHYL-7H-PYRROLO(2,3-D)PYRIMIDIN-4-YLAMINO)-.BETA.-OXO-, BUTYL ESTER, (3R,4R)-

Common Name

English

Code System Code Type Description

PUBCHEM

137346683

Created by admin on Sat Dec 16 19:11:52 GMT 2023 , Edited by admin on Sat Dec 16 19:11:52 GMT 2023

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FDA UNII

EXA92262Y4

Created by admin on Sat Dec 16 19:11:52 GMT 2023 , Edited by admin on Sat Dec 16 19:11:52 GMT 2023

PRIMARY

CAS

2227199-31-5

Created by admin on Sat Dec 16 19:11:52 GMT 2023 , Edited by admin on Sat Dec 16 19:11:52 GMT 2023

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