2-METHYL-2-PROPYLPROPANE-1,3-DIYL DINITRATE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H14N2O6
Molecular Weight	222.1959
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-METHYL-2-PROPYLPROPANE-1,3-DIYL DINITRATE

Structure Search

SMILES

CCCC(C)(CO[N+]([O-])=O)CO[N+]([O-])=O

InChI

InChIKey=BLJBDLGFKNXUCB-UHFFFAOYSA-N

InChI=1S/C7H14N2O6/c1-3-4-7(2,5-14-8(10)11)6-15-9(12)13/h3-6H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C7H14N2O6
Molecular Weight	222.1959
Charge	0
Count

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

Approval Year

Patents

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:20:27 GMT 2023` Edited by `admin` on `Fri Dec 15 15:20:27 GMT 2023`
Record UNII	C317706XA7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-METHYL-2-PROPYLPROPANE-1,3-DIYL DINITRATE

Systematic Name

English

NITRAL

Common Name

English

METHYLPROPYLPROPANEDIOL DINITRATE

Systematic Name

English

Nitral [WHO-DD]

Common Name

English

2-METHYL-2-PROPYL-1,3-PROPANEDIOL DINITRATE

Systematic Name

English

Methylpropylpropanediol dinitrate [WHO-DD]

Common Name

English

Classification Tree Code System Code

WHO-ATC

C01DA54

Created by admin on Fri Dec 15 15:20:27 GMT 2023 , Edited by admin on Fri Dec 15 15:20:27 GMT 2023

WHO-VATC

QC01DA04

Created by admin on Fri Dec 15 15:20:27 GMT 2023 , Edited by admin on Fri Dec 15 15:20:27 GMT 2023

WHO-ATC

C01DA04

Created by admin on Fri Dec 15 15:20:27 GMT 2023 , Edited by admin on Fri Dec 15 15:20:27 GMT 2023

WHO-VATC

QC01DA54

Created by admin on Fri Dec 15 15:20:27 GMT 2023 , Edited by admin on Fri Dec 15 15:20:27 GMT 2023

Code System Code Type Description

EVMPD

SUB14656MIG

Created by admin on Fri Dec 15 15:20:27 GMT 2023 , Edited by admin on Fri Dec 15 15:20:27 GMT 2023

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ECHA (EC/EINECS)

234-233-6

Created by admin on Fri Dec 15 15:20:27 GMT 2023 , Edited by admin on Fri Dec 15 15:20:27 GMT 2023

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CAS

10605-24-0

Created by admin on Fri Dec 15 15:20:27 GMT 2023 , Edited by admin on Fri Dec 15 15:20:27 GMT 2023

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FDA UNII

C317706XA7

Created by admin on Fri Dec 15 15:20:27 GMT 2023 , Edited by admin on Fri Dec 15 15:20:27 GMT 2023

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PUBCHEM

25430

Created by admin on Fri Dec 15 15:20:27 GMT 2023 , Edited by admin on Fri Dec 15 15:20:27 GMT 2023

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DRUG BANK

DB13408

Created by admin on Fri Dec 15 15:20:27 GMT 2023 , Edited by admin on Fri Dec 15 15:20:27 GMT 2023

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ChEMBL

CHEMBL3707209

Created by admin on Fri Dec 15 15:20:27 GMT 2023 , Edited by admin on Fri Dec 15 15:20:27 GMT 2023

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EPA CompTox

DTXSID80147487

Created by admin on Fri Dec 15 15:20:27 GMT 2023 , Edited by admin on Fri Dec 15 15:20:27 GMT 2023

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SMS_ID

100000079997

Created by admin on Fri Dec 15 15:20:27 GMT 2023 , Edited by admin on Fri Dec 15 15:20:27 GMT 2023

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