SAXAGLIPTIN BENZOATE MONOHYDRATE

Details

Stereochemistry	MIXED
Molecular Formula	C18H25N3O2.C7H6O2.H2O
Molecular Weight	455.5466
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SAXAGLIPTIN BENZOATE MONOHYDRATE

Structure Search

SMILES

O.OC(=O)C1=CC=CC=C1.N[C@H](C(=O)N2[C@H]3C[C@H]3C[C@H]2C#N)C45CC6CC(CC(O)(C6)C4)C5

InChI

InChIKey=YGWZHVCQYMJYGU-FUBQWGCJSA-N

InChI=1S/C18H25N3O2.C7H6O2.H2O/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17;8-7(9)6-4-2-1-3-5-6;/h10-15,23H,1-7,9,20H2;1-5H,(H,8,9);1H2/t10?,11?,12-,13+,14+,15-,17?,18?;;/m1../s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

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

Preferred Name

English

SAXAGLIPTIN BENZOATE MONOHYDRATE

Common Name

English

SAXAGLIPTIN BENZOATE HYDRATE

Common Name

English

Code System Code Type Description

FDA UNII

I2W6S6X03K

Created by admin on Mon Mar 31 23:14:33 GMT 2025 , Edited by admin on Mon Mar 31 23:14:33 GMT 2025