SAXAGLIPTIN TARTRATE HEMIHYDRATE

Details

Stereochemistry	MIXED
Molecular Formula	2C18H25N3O2.2C4H6O6.H2O
Molecular Weight	949.009
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 16
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SAXAGLIPTIN TARTRATE HEMIHYDRATE

Structure Search

SMILES

O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.[H][C@@]12C[C@]1([H])N([C@@H](C2)C#N)C(=O)[C@@H](N)C34CC5CC(CC(O)(C5)C3)C4.[H][C@@]67C[C@]6([H])N([C@@H](C7)C#N)C(=O)[C@@H](N)C89CC%10CC(CC(O)(C%10)C8)C9

InChI

InChIKey=IGWGVSTWGTWJRT-VBHLBGAFSA-N

InChI=1S/2C18H25N3O2.2C4H6O6.H2O/c2*19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17;2*5-1(3(7)8)2(6)4(9)10;/h2*10-15,23H,1-7,9,20H2;2*1-2,5-6H,(H,7,8)(H,9,10);1H2/t2*10?,11?,12-,13+,14+,15-,17?,18?;2*1-,2-;/m1111./s1

HIDE SMILES / InChI

Molecular Formula	C4H6O6
Molecular Weight	150.0868
Charge	0
Count

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

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

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

Molecular Formula	C18H25N3O2
Molecular Weight	315.41
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	4 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:43:18 UTC 2023` Edited by `admin` on `Fri Dec 15 15:43:18 UTC 2023`
Record UNII	M70CAB6UG6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SAXAGLIPTIN TARTRATE HEMIHYDRATE

Common Name

English

2-AZABICYCLO(3.1.0)HEXANE-3-CARBONITRILE, 2-((2S)-2-AMINO-2-(3-HYDROXYTRICYCLO(3.3.1.13,7)DEC-1-YL)ACETYL)-, (1S,3S,5S)-, (2R,3R)-2,3-DIHYDROXYBUTANEDIOATE, HYDRATE (2:2:1)

Common Name

English

Code System Code Type Description

FDA UNII

M70CAB6UG6

Created by admin on Fri Dec 15 15:43:18 UTC 2023 , Edited by admin on Fri Dec 15 15:43:18 UTC 2023

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PUBCHEM

91618059

Created by admin on Fri Dec 15 15:43:18 UTC 2023 , Edited by admin on Fri Dec 15 15:43:18 UTC 2023

PRIMARY

CAS

1073057-37-0

Created by admin on Fri Dec 15 15:43:18 UTC 2023 , Edited by admin on Fri Dec 15 15:43:18 UTC 2023

PRIMARY

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