4-DESFLUORO N-BOC SITAGLIPTIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H24F5N5O3
Molecular Weight	489.439
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-DESFLUORO N-BOC SITAGLIPTIN

Structure Search

SMILES

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

InChI

InChIKey=AXHCIYKYKSIHCB-CQSZACIVSA-N

InChI=1S/C21H24F5N5O3/c1-20(2,3)34-19(33)27-14(9-12-8-13(22)4-5-15(12)23)10-17(32)30-6-7-31-16(11-30)28-29-18(31)21(24,25)26/h4-5,8,14H,6-7,9-11H2,1-3H3,(H,27,33)/t14-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H24F5N5O3
Molecular Weight	489.439
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 19:04:36 GMT 2023` Edited by `admin` on `Sat Dec 16 19:04:36 GMT 2023`
Record UNII	2SHC36P9ZT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-DESFLUORO N-BOC SITAGLIPTIN

Common Name

English

1,1-DIMETHYLETHYL N-((1R)-1-((2,5-DIFLUOROPHENYL)METHYL)-3-(5,6-DIHYDRO-3-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLO(4,3-A)PYRAZIN-7(8H)-YL)-3-OXOPROPYL)CARBAMATE

Systematic Name

English

CARBAMIC ACID, N-((1R)-1-((2,5-DIFLUOROPHENYL)METHYL)-3-(5,6-DIHYDRO-3-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLO(4,3-A)PYRAZIN-7(8H)-YL)-3-OXOPROPYL)-, 1,1-DIMETHYLETHYL ESTER

Systematic Name

English

TERT-BUTYL (R)-(1-(2,5-DIFLUOROPHENYL)-4-OXO-4-(3-(TRIFLUOROMETHYL)-5,6-DIHYDRO-(1,2,4)TRIAZOLO(4,3-A)PYRAZIN-7(8H)-YL)BUTAN-2-YL)CARBAMATE

Systematic Name

English

Code System Code Type Description

PUBCHEM

11477355

Created by admin on Sat Dec 16 19:04:36 GMT 2023 , Edited by admin on Sat Dec 16 19:04:36 GMT 2023

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CAS

486460-22-4

Created by admin on Sat Dec 16 19:04:36 GMT 2023 , Edited by admin on Sat Dec 16 19:04:36 GMT 2023

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FDA UNII

2SHC36P9ZT

Created by admin on Sat Dec 16 19:04:36 GMT 2023 , Edited by admin on Sat Dec 16 19:04:36 GMT 2023

PRIMARY