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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

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

Approval Year

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
MI  
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
Created by admin on Fri Dec 15 15:56:43 UTC 2023 , Edited by admin on Fri Dec 15 15:56:43 UTC 2023
PRIMARY
MERCK INDEX
m9960
Created by admin on Fri Dec 15 15:56:43 UTC 2023 , Edited by admin on Fri Dec 15 15:56:43 UTC 2023
PRIMARY
CAS
654671-78-0
Created by admin on Fri Dec 15 15:56:43 UTC 2023 , Edited by admin on Fri Dec 15 15:56:43 UTC 2023
PRIMARY
FDA UNII
494P4635I6
Created by admin on Fri Dec 15 15:56:43 UTC 2023 , Edited by admin on Fri Dec 15 15:56:43 UTC 2023
PRIMARY
PUBCHEM
6451150
Created by admin on Fri Dec 15 15:56:43 UTC 2023 , Edited by admin on Fri Dec 15 15:56:43 UTC 2023
PRIMARY
CAS
1269630-53-6
Created by admin on Fri Dec 15 15:56:43 UTC 2023 , Edited by admin on Fri Dec 15 15:56:43 UTC 2023
NON-SPECIFIC STOICHIOMETRY
SMS_ID
100000089174
Created by admin on Fri Dec 15 15:56:43 UTC 2023 , Edited by admin on Fri Dec 15 15:56:43 UTC 2023
PRIMARY