N-BOC-SITAGLIPTIN HYDROCHLORIDE

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

Structure Search

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

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

Molecular Formula	C21H23F6N5O3
Molecular Weight	507.4294
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 `Sat Dec 16 19:34:50 GMT 2023` Edited by `admin` on `Sat Dec 16 19:34:50 GMT 2023`
Record UNII	R4QA296BCZ
Record Status	`Validated (UNII)`
Record Version

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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

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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

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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

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