4-Desfluoro Sitagliptin

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H16F5N5O.H3O4P
Molecular Weight	487.3183
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OP(O)(O)=O.N[C@@H](CC(=O)N1CCN2C(C1)=NN=C2C(F)(F)F)CC3=CC(F)=CC=C3F

InChI

InChIKey=UOKMPNRCGWVMBY-RFVHGSKJSA-N

InChI=1S/C16H16F5N5O.H3O4P/c17-10-1-2-12(18)9(5-10)6-11(22)7-14(27)25-3-4-26-13(8-25)23-24-15(26)16(19,20)21;1-5(2,3)4/h1-2,5,11H,3-4,6-8,22H2;(H3,1,2,3,4)/t11-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C16H16F5N5O
Molecular Weight	389.3232
Charge	0
Count

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

Molecular Formula	H3O4P
Molecular Weight	97.9952
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 17:33:53 GMT 2025` Edited by `admin` on `Wed Apr 02 17:33:53 GMT 2025`
Record UNII	8JC3R8QR6S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-Desfluoro Sitagliptin

Common Name

English

1-Butanone, 3-amino-4-(2,5-difluorophenyl)-1-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-, (3R)-, phosphate (1:1)

Preferred Name

English

Code System Code Type Description

FDA UNII

8JC3R8QR6S

Created by admin on Wed Apr 02 17:33:53 GMT 2025 , Edited by admin on Wed Apr 02 17:33:53 GMT 2025

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CAS

1345822-87-8

Created by admin on Wed Apr 02 17:33:53 GMT 2025 , Edited by admin on Wed Apr 02 17:33:53 GMT 2025

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PUBCHEM

71253039

Created by admin on Wed Apr 02 17:33:53 GMT 2025 , Edited by admin on Wed Apr 02 17:33:53 GMT 2025

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