GLYCERYL 1,2-DINITRATE

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C3H6N2O7
Molecular Weight	182.0889
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of GLYCERYL 1,2-DINITRATE

Structure Search

SMILES

OCC(CO[N+]([O-])=O)O[N+]([O-])=O

InChI

InChIKey=GFVHBTOOPNJKLV-UHFFFAOYSA-N

InChI=1S/C3H6N2O7/c6-1-3(12-5(9)10)2-11-4(7)8/h3,6H,1-2H2

HIDE SMILES / InChI

Molecular Formula	C3H6N2O7
Molecular Weight	182.0889
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

PubMed

PubMed

Title	Date	PubMed
Cloning and sequence analysis of two Pseudomonas flavoprotein xenobiotic reductases.	1999 Oct	10515912
The HPLC determination of propane-1,2,3-triyl trinitrite and impurities: (2RS)-3-hydroxypropane-1,2-diyl dinitrate and 2-hydroxypropane-1,3-diyl dinitrate in ointment.	2003 Oct 15	14550859

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:54:02 GMT 2023` Edited by `admin` on `Fri Dec 15 15:54:02 GMT 2023`
Record UNII	8542I4GE54
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GLYCERYL 1,2-DINITRATE

Common Name

English

1,2-GLYCERYL DINITRATE

Common Name

English

1,2-DINITROGLYCERIN [USP-RS]

Common Name

English

GLYCEROL, 1,2-DINITRATE

Common Name

English

1,2,3-PROPANETRIOL, 1,2-DINITRATE

Common Name

English

GLYCERYL-1,2-DINITRATE

Common Name

English

1,2-DINITROGLYCERIN

Systematic Name

English

GLYCERYL TRINITRATE SOLUTION IMPURITY D [EP IMPURITY]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C80487

Created by admin on Fri Dec 15 15:54:02 GMT 2023 , Edited by admin on Fri Dec 15 15:54:02 GMT 2023

Code System Code Type Description

EPA CompTox

DTXSID30875566

Created by admin on Fri Dec 15 15:54:02 GMT 2023 , Edited by admin on Fri Dec 15 15:54:02 GMT 2023

PRIMARY

CHEBI

18898

Created by admin on Fri Dec 15 15:54:02 GMT 2023 , Edited by admin on Fri Dec 15 15:54:02 GMT 2023

PRIMARY

MESH

C014509

Created by admin on Fri Dec 15 15:54:02 GMT 2023 , Edited by admin on Fri Dec 15 15:54:02 GMT 2023

PRIMARY

FDA UNII

8542I4GE54

Created by admin on Fri Dec 15 15:54:02 GMT 2023 , Edited by admin on Fri Dec 15 15:54:02 GMT 2023

PRIMARY

NCI_THESAURUS

C87318

Created by admin on Fri Dec 15 15:54:02 GMT 2023 , Edited by admin on Fri Dec 15 15:54:02 GMT 2023

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RS_ITEM_NUM

1213148

Created by admin on Fri Dec 15 15:54:02 GMT 2023 , Edited by admin on Fri Dec 15 15:54:02 GMT 2023

PRIMARY

CAS

621-65-8

Created by admin on Fri Dec 15 15:54:02 GMT 2023 , Edited by admin on Fri Dec 15 15:54:02 GMT 2023

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PUBCHEM

79076

Created by admin on Fri Dec 15 15:54:02 GMT 2023 , Edited by admin on Fri Dec 15 15:54:02 GMT 2023

PRIMARY

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					G59M7S0WS3

PARENT -> METABOLITE

Amount:

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					G59M7S0WS3

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:

Related Record Type Details


					8542I4GE54

GLYCERYL 1,2-DINITRATE

ACTIVE MOIETY