SITAGLIPTIN HYDROCHLORIDE MONOHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H15F6N5O.ClH.H2O
Molecular Weight	461.79
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SITAGLIPTIN HYDROCHLORIDE MONOHYDRATE

Structure Search

SMILES

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

InChI

InChIKey=YPULIQLVSSZRST-KLQYNRQASA-N

InChI=1S/C16H15F6N5O.ClH.H2O/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;;/h4,6,9H,1-3,5,7,23H2;1H;1H2/t9-;;/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	H2O
Molecular Weight	18.0153
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 `Sat Dec 16 18:50:32 UTC 2023` Edited by `admin` on `Sat Dec 16 18:50:32 UTC 2023`
Record UNII	6DH2XG35TG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SITAGLIPTIN HYDROCHLORIDE MONOHYDRATE

Common 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)-, MONOHYDROCHLORIDE, MONOHYDRATE

Systematic Name

English

SITAGLIPTIN MONOHYDROCHLORIDE MONOHYDRATE

Common Name

English

1-BUTANONE, 3-AMINO-1-(5,6-DIHYDRO-3-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLO(4,3-A)PYRAZIN-7(8H)-YL)-4-(2,4,5-TRIFLUOROPHENYL)-, HYDROCHLORIDE, HYDRATE (1:1:1), (3R)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

91827430

Created by admin on Sat Dec 16 18:50:33 UTC 2023 , Edited by admin on Sat Dec 16 18:50:33 UTC 2023

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SMS_ID

100000174576

Created by admin on Sat Dec 16 18:50:33 UTC 2023 , Edited by admin on Sat Dec 16 18:50:33 UTC 2023

PRIMARY

FDA UNII

6DH2XG35TG

Created by admin on Sat Dec 16 18:50:33 UTC 2023 , Edited by admin on Sat Dec 16 18:50:33 UTC 2023

PRIMARY

CAS

862156-92-1

Created by admin on Sat Dec 16 18:50:33 UTC 2023 , Edited by admin on Sat Dec 16 18:50:33 UTC 2023

PRIMARY

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