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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H23F6N5O3.ClH
Molecular Weight 543.89
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-BOC-SITAGLIPTIN HYDROCHLORIDE

SMILES

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

InChI

InChIKey=PVFGLZLJISHBMX-UTONKHPSSA-N
InChI=1S/C21H23F6N5O3.ClH/c1-20(2,3)35-19(34)28-12(6-11-7-14(23)15(24)9-13(11)22)8-17(33)31-4-5-32-16(10-31)29-30-18(32)21(25,26)27;/h7,9,12H,4-6,8,10H2,1-3H3,(H,28,34);1H/t12-;/m1./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
N-BOC-SITAGLIPTIN HYDROCHLORIDE
Common Name English
Carbamic acid, N-[(1R)-3-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-3-oxo-1-[(2,4,5-trifluorophenyl)methyl]propyl]-, 1,1-dimethylethyl ester, hydrochloride (1:1)
Systematic Name English
tert-butyl N-[(1R)-3-oxo-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-[(2,4,5-trifluorophenyl)methyl]propyl]carbamate;hydrochloride
Systematic Name English
Code System Code Type Description
FDA UNII
R4QA296BCZ
Created by admin on Sat Dec 16 19:34:50 GMT 2023 , Edited by admin on Sat Dec 16 19:34:50 GMT 2023
PRIMARY
CAS
2247899-24-5
Created by admin on Sat Dec 16 19:34:50 GMT 2023 , Edited by admin on Sat Dec 16 19:34:50 GMT 2023
PRIMARY
PUBCHEM
168429502
Created by admin on Sat Dec 16 19:34:50 GMT 2023 , Edited by admin on Sat Dec 16 19:34:50 GMT 2023
PRIMARY