(S)-Alogliptin Benzoate Salt

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H21N5O2.C7H6O2
Molecular Weight	461.513
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (S)-Alogliptin Benzoate Salt

Structure Search

SMILES

OC(=O)C1=CC=CC=C1.CN2C(=O)C=C(N3CCC[C@H](N)C3)N(CC4=C(C=CC=C4)C#N)C2=O

InChI

InChIKey=KEJICOXJTRHYAK-RSAXXLAASA-N

InChI=1S/C18H21N5O2.C7H6O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19;8-7(9)6-4-2-1-3-5-6/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3;1-5H,(H,8,9)/t15-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C18H21N5O2
Molecular Weight	339.3916
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C7H6O2
Molecular Weight	122.1213
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:31:38 GMT 2025` Edited by `admin` on `Wed Apr 02 17:31:38 GMT 2025`
Record UNII	L37K4H2VHE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(S)-2-((6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile benzoate

Preferred Name

English

(S)-Alogliptin Benzoate Salt

Common Name

English

Benzonitrile, 2-[[6-[(3S)-3-amino-1-piperidinyl]-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl]methyl]-, benzoate (1:1)

Systematic Name

English

2-((6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile benzoate, (S)-

Systematic Name

English

Code System Code Type Description

CAS

1638544-64-5

Created by admin on Wed Apr 02 17:31:38 GMT 2025 , Edited by admin on Wed Apr 02 17:31:38 GMT 2025

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FDA UNII

L37K4H2VHE

Created by admin on Wed Apr 02 17:31:38 GMT 2025 , Edited by admin on Wed Apr 02 17:31:38 GMT 2025

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PUBCHEM

117704323

Created by admin on Wed Apr 02 17:31:38 GMT 2025 , Edited by admin on Wed Apr 02 17:31:38 GMT 2025

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