BESIGLIPTIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H28FN5O2
Molecular Weight	365.4456
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CN(C[C@]1([H])C[C@](C)(C2)NCC(=O)N3C[C@@H](F)C[C@H]3C#N)C(=O)N(C)C

InChI

InChIKey=WWRKIQZKFGMESZ-SFUJAXRZSA-N

InChI=1S/C18H28FN5O2/c1-18(21-8-16(25)24-11-14(19)4-15(24)7-20)5-12-9-23(10-13(12)6-18)17(26)22(2)3/h12-15,21H,4-6,8-11H2,1-3H3/t12-,13+,14-,15-,18+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C18H28FN5O2
Molecular Weight	365.4456
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 12:35:40 UTC 2023` Edited by `admin` on `Sat Dec 16 12:35:40 UTC 2023`
Record UNII	2K789YO4JJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BESIGLIPTIN

Common Name

English

(3A.ALPHA.,5.ALPHA.,6A.ALPHA.)-5-((2-((2S,4S)-2-CYANO-4-FLUORO-1-PYRROLIDINYL)-2-OXOETHYL)AMINO)HEXAHYDRO-N,N,5-TRIMETHYLCYCLOPENTA(C)PYRROLE-2(1H)-CARBOXAMIDE

Systematic Name

English

SHR117887 FREE BASE

Code

English

CYCLOPENTA(C)PYRROLE-2(1H)-CARBOXAMIDE, 5-((2-((2S,4S)-2-CYANO-4-FLUORO-1-PYRROLIDINYL)-2-OXOETHYL)AMINO)HEXAHYDRO-N,N,5-TRIMETHYL-, (3A.ALPHA.,5.ALPHA.,6A.ALPHA.)-

Systematic Name

English

SHR-117887 FREE BASE

Code

English

Code System Code Type Description

PUBCHEM

44182656

Created by admin on Sat Dec 16 12:35:40 UTC 2023 , Edited by admin on Sat Dec 16 12:35:40 UTC 2023

PRIMARY

CAS

1177459-85-6

Created by admin on Sat Dec 16 12:35:40 UTC 2023 , Edited by admin on Sat Dec 16 12:35:40 UTC 2023

PRIMARY

FDA UNII

2K789YO4JJ

Created by admin on Sat Dec 16 12:35:40 UTC 2023 , Edited by admin on Sat Dec 16 12:35:40 UTC 2023

PRIMARY

Related Record Type Details


					06SMN21EQE

BESIGLIPTIN TOSYLATE

SALT/SOLVATE -> PARENT

Related Record Type Details


					2K789YO4JJ

BESIGLIPTIN

ACTIVE MOIETY