SITAGLIPTIN PHOSPHATE ANHYDROUS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H15F6N5O.H3O4P
Molecular Weight	505.3088
Optical Activity	( - )
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SITAGLIPTIN PHOSPHATE ANHYDROUS

Structure Search

SMILES

OP(O)(O)=O.N[C@@H](CC(=O)N1CCN2C(C1)=NN=C2C(F)(F)F)CC3=C(F)C=C(F)C(F)=C3

InChI

InChIKey=IQFYVLUXQXSJJN-SBSPUUFOSA-N

InChI=1S/C16H15F6N5O.H3O4P/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22;1-5(2,3)4/h4,6,9H,1-3,5,7,23H2;(H3,1,2,3,4)/t9-;/m1./s1

HIDE SMILES / InChI

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

Molecular Formula	C16H15F6N5O
Molecular Weight	407.3136
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:56:43 UTC 2023` Edited by `admin` on `Fri Dec 15 15:56:43 UTC 2023`
Record UNII	494P4635I6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SITAGLIPTIN PHOSPHATE ANHYDROUS

Common Name

English

SITAGLIPTIN PHOSPHATE ANHYDROUS COMPONENT OF JANUMET

Brand Name

English

1,2,4-TRIAZOLO(4,3-A)PYRAZINE, 7-((3R)-3-AMINO-1-OXO-4-(2,4,5-TRIFLUOROPHENYL)BUTYL)-5,6,7,8-TETRAHYDRO-3-(TRIFLUOROMETHYL)-, PHOSPHATE (1:1)

Systematic Name

English

SITAGLIPTIN MONOPHOSPHATE ANHYDROUS [MI]

Common Name

English

SITAGLIPTIN MONOPHOSPHATE

Common Name

English

7-((3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL)-3-(TRIFLUOROMETHYL)-5,6,7,8-TETRAHYDRO-1,2,4-TRIAZOLO(4,3-A)PYRAZINEMONOPHOSPHATE

Common Name

English

Sitagliptin Phosphate [WHO-DD]

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID10215789