SITAGLIPTIN PHOSPHATE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H15F6N5O.H2O.H3O4P
Molecular Weight	523.3241
Optical Activity	( - )
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SITAGLIPTIN PHOSPHATE

Structure Search

SMILES

O.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=GQPYTJVDPQTBQC-KLQYNRQASA-N

InChI=1S/C16H15F6N5O.H3O4P.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;1-5(2,3)4;/h4,6,9H,1-3,5,7,23H2;(H3,1,2,3,4);1H2/t9-;;/m1../s1

HIDE SMILES / InChI

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

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	H3O4P
Molecular Weight	97.9952
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:03:23 UTC 2023` Edited by `admin` on `Fri Dec 15 16:03:23 UTC 2023`
Record UNII	TS63EW8X6F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SITAGLIPTIN PHOSPHATE

Official Name

English

SITAGLIPTIN PHOSPHATE COMPONENT OF STELUJAN

Brand Name

English

SITAGLIPTIN PHOSPHATE 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), PHOSPHATE (1:1) MONOHYDRATE

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]pyrazine monophosphate monohydrate

Systematic Name

English

SITAGLIPTIN PHOSPHATE [MART.]

Common Name

English

SITAGLIPTIN PHOSPHATE MONOHYDRATE [EP MONOGRAPH]

Common Name

English

SITAGLIPTIN MONOPHOSPHATE MONOHYDRATE [MI]

Common Name

English

JANUVIA

Brand Name

English

SITAGLIPTIN PHOSPHATE [USP-RS]

Common Name

English

SITAGLIPTIN PHOSPHATE [ORANGE BOOK]

Common Name

English

SITAGLIPTIN MONOPHOSPHATE MONOHYDRATE

Common Name

English

SITAGLIPTIN PHOSPHATE [JAN]

Common Name

English

SITAGLIPTIN PHOSPHATE HYDRATE

Common Name

English

SITAGLIPTIN PHOSPHATE COMPONENT OF STEGLUJAN

Brand Name

English

GLACTIV

Brand Name

English

MK-0431

Code

English

STEGLUJAN COMPONENT SITAGLIPTIN PHOSPHATE

Brand Name

English

SITAGLIPTIN PHOSPHATE HYDRATE [JAN]

Common Name

English

JANUMET COMPONENT SITAGLIPTIN PHOSPHATE

Brand Name

English

SITAGLIPTIN PHOSPHATE [USP MONOGRAPH]

Common Name

English

Sitagliptin phosphate monohydrate [WHO-DD]

Common Name

English

SITAGLIPTIN PHOSPHATE COMPONENT OF JANUMET

Brand Name

English

ONO-5435

Code

English

MK0431

Code

English

SITAGLIPTIN PHOSPHATE [USAN]

Common Name

English

SITAGLIPTIN PHOSPHATE [VANDF]

Common Name

English

STELUJAN COMPONENT SITAGLIPTIN PHOSPHATE

Brand Name

English

Classification Tree Code System Code

NCI_THESAURUS

C98086

Created by admin on Fri Dec 15 16:03:23 UTC 2023 , Edited by admin on Fri Dec 15 16:03:23 UTC 2023

Code System Code Type Description

JAPANESE REVIEW

JANUVIA

Created by admin on Fri Dec 15 16:03:23 UTC 2023 , Edited by admin on Fri Dec 15 16:03:23 UTC 2023

PRIMARY

APPROVED OCTOBER 2009

WIKIPEDIA

Sitagliptin phosphate

Created by admin on Fri Dec 15 16:03:23 UTC 2023 , Edited by admin on Fri Dec 15 16:03:23 UTC 2023

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RXCUI

621590

Created by admin on Fri Dec 15 16:03:23 UTC 2023 , Edited by admin on Fri Dec 15 16:03:23 UTC 2023

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RxNorm

CAS

654671-77-9

Created by admin on Fri Dec 15 16:03:23 UTC 2023 , Edited by admin on Fri Dec 15 16:03:23 UTC 2023

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EPA CompTox

DTXSID50904746

Created by admin on Fri Dec 15 16:03:23 UTC 2023 , Edited by admin on Fri Dec 15 16:03:23 UTC 2023

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RS_ITEM_NUM

1612903

Created by admin on Fri Dec 15 16:03:23 UTC 2023 , Edited by admin on Fri Dec 15 16:03:23 UTC 2023

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DRUG BANK

DBSALT002821

Created by admin on Fri Dec 15 16:03:23 UTC 2023 , Edited by admin on Fri Dec 15 16:03:23 UTC 2023

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JAPANESE REVIEW

GLACTIV

Created by admin on Fri Dec 15 16:03:23 UTC 2023 , Edited by admin on Fri Dec 15 16:03:23 UTC 2023

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SMS_ID

100000089173

Created by admin on Fri Dec 15 16:03:23 UTC 2023 , Edited by admin on Fri Dec 15 16:03:23 UTC 2023

PRIMARY

EVMPD

SUB25198

Created by admin on Fri Dec 15 16:03:23 UTC 2023 , Edited by admin on Fri Dec 15 16:03:23 UTC 2023

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NCI_THESAURUS

C73811

Created by admin on Fri Dec 15 16:03:23 UTC 2023 , Edited by admin on Fri Dec 15 16:03:23 UTC 2023

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FDA UNII

TS63EW8X6F

Created by admin on Fri Dec 15 16:03:23 UTC 2023 , Edited by admin on Fri Dec 15 16:03:23 UTC 2023

PRIMARY

ChEMBL

CHEMBL1422

Created by admin on Fri Dec 15 16:03:23 UTC 2023 , Edited by admin on Fri Dec 15 16:03:23 UTC 2023

PRIMARY

CHEBI

40237

Created by admin on Fri Dec 15 16:03:23 UTC 2023 , Edited by admin on Fri Dec 15 16:03:23 UTC 2023

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MERCK INDEX

m9960

Created by admin on Fri Dec 15 16:03:23 UTC 2023 , Edited by admin on Fri Dec 15 16:03:23 UTC 2023

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Merck Index

USAN

RR-01

Created by admin on Fri Dec 15 16:03:23 UTC 2023 , Edited by admin on Fri Dec 15 16:03:23 UTC 2023

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EVMPD

SUB25200

Created by admin on Fri Dec 15 16:03:23 UTC 2023 , Edited by admin on Fri Dec 15 16:03:23 UTC 2023

PRIMARY

DAILYMED

TS63EW8X6F

Created by admin on Fri Dec 15 16:03:23 UTC 2023 , Edited by admin on Fri Dec 15 16:03:23 UTC 2023

PRIMARY

PUBCHEM

11591741

Created by admin on Fri Dec 15 16:03:23 UTC 2023 , Edited by admin on Fri Dec 15 16:03:23 UTC 2023

PRIMARY

Related Record Type Details


					QFP0P1DV7Z

PARENT -> SALT/SOLVATE

Amount:


					494P4635I6

SITAGLIPTIN PHOSPHATE ANHYDROUS

ANHYDROUS->SOLVATE

Amount:

Related Record Type Details


					DC8PXU74K8

SITAGLIPTIN ENAMINE

IMPURITY -> PARENT

Amount:


					JF5Z8G7R4S

2,2-Dimethyl-5-[2-(2,4,5-trifluorophenyl)acetyl]-1,3-dioxane-4,6-dione

IMPURITY -> PARENT

Amount:


					YK8KXP4U2W

3-DESAMINO-3,4-DEHYDROSITAGLIPTIN

IMPURITY -> PARENT

Amount:


					NG2PN5Z4PE

SITAGLIPTIN ACID

IMPURITY -> PARENT

Amount:


					Q36HRH72XU

SITAGLIPTIN DIMER

IMPURITY -> PARENT

Comments:

The content of N-Boc TP butanoic acid and dimer is restricted to "Not more than 0.5%" in the specifications of N-Boc TP butanoic acid. This controls Sitagliptin dimer impurity in Sitagliptin phosphate.

Amount:


					Z5P7N9X4XU

(R)-SITAGLIPTIN METHYL ESTER

IMPURITY -> PARENT

Amount:


					WQC5W43W24

SITAGLIPTIN, (S)-

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					C2VCH5A4VG

N-BOC-SITAGLIPTIN

IMPURITY -> PARENT

Comments:

N-Boc Sitagliptin is controlled to "Not More Than 0.10%" in Sitagliptin base (under any unspecified impurity)

Amount:


					IP5PMS7GWY

(3R)-3-AMINO-4-(2,4-DIFLUOROPHENYL)-1-(3-(TRIFLUOROMETHYL)-5,6-DIHYDRO(1,2,4)TRIAZOLO(4,3-A)PYRAZIN-7(8H)-YL)BUTAN-1-ONE

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					3J932MNA4N

.BETA.-(((3R)-3-(((1,1-DIMETHYLETHOXY)CARBONYL)AMINO)-1-OXO-4-(2,4,5-TRIFLUOROPHENYL)BUTYL)AMINO)-2,4,5-TRIFLUOROBENZENEBUTANOIC ACID, (.BETA.R)-

IMPURITY -> PARENT

Comments:

Impurities controlled in the Starting material [N-Boc TP butanoic acid]: Not more than 0.5%

Amount:


					5LA6J63SC2

SITAGLIPTIN FUMARATE ADDUCT

IMPURITY -> PARENT

Comments:

TABLET MONOGRAPH

Amount:

Related Record Type Details


					QFP0P1DV7Z

ACTIVE MOIETY

Amount: