BESIGLIPTIN TOSYLATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H28FN5O2.C7H8O3S
Molecular Weight	537.647
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC=C(C=C1)S(O)(=O)=O.[H][C@@]23CN(C[C@]2([H])C[C@](C)(C3)NCC(=O)N4C[C@@H](F)C[C@H]4C#N)C(=O)N(C)C

InChI

InChIKey=VBMNNLBIPDGFBS-XGXURLCGSA-N

InChI=1S/C18H28FN5O2.C7H8O3S/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;1-6-2-4-7(5-3-6)11(8,9)10/h12-15,21H,4-6,8-11H2,1-3H3;2-5H,1H3,(H,8,9,10)/t12-,13+,14-,15-,18+;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C7H8O3S
Molecular Weight	172.202
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

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 11:52:17 UTC 2023` Edited by `admin` on `Sat Dec 16 11:52:17 UTC 2023`
Record UNII	06SMN21EQE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BESIGLIPTIN TOSYLATE

Common Name

English

SHR-117887

Common Name

English

(3AS,6AR)-5-((2-((2S,4S)-2-CYANO-4-FLUORO-PYRROLIDIN-1-YL)-2-OXO-ETHYL)AMINO)-N,N,5-TRIMETHYL-1,3,3A,4,6,6A-HEXAHYDROCYCLOPENTA(C)PYRROLE-2-CARBOXAMIDE; 4-METHYLBENZENESULFONIC ACID

Systematic Name

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.)-, 4-METHYLBENZENESULFONATE (1:1)

Systematic Name

English

SHR117887

Code

English

Code System Code Type Description

FDA UNII

06SMN21EQE

Created by admin on Sat Dec 16 11:52:17 UTC 2023 , Edited by admin on Sat Dec 16 11:52:17 UTC 2023

PRIMARY

CAS

1177460-72-8

Created by admin on Sat Dec 16 11:52:17 UTC 2023 , Edited by admin on Sat Dec 16 11:52:17 UTC 2023

PRIMARY

PUBCHEM

91667592

Created by admin on Sat Dec 16 11:52:17 UTC 2023 , Edited by admin on Sat Dec 16 11:52:17 UTC 2023

PRIMARY

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