3-Hydroxy-2,2-bis(((1-oxoallyl)oxy)methyl)propyl aziridine-1-propionate

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H23NO7
Molecular Weight	341.3563
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-Hydroxy-2,2-bis(((1-oxoallyl)oxy)methyl)propyl aziridine-1-propionate

Structure Search

SMILES

OCC(COC(=O)CCN1CC1)(COC(=O)C=C)COC(=O)C=C

InChI

InChIKey=GVBDDZNAFQDZPW-UHFFFAOYSA-N

InChI=1S/C16H23NO7/c1-3-13(19)22-10-16(9-18,11-23-14(20)4-2)12-24-15(21)5-6-17-7-8-17/h3-4,18H,1-2,5-12H2

HIDE SMILES / InChI

Approval Year

Name

Type

Language

1-Aziridinepropanoic acid, 2-(hydroxymethyl)-3-[(1-oxo-2-propen-1-yl)oxy]-2-[[(1-oxo-2-propen-1-yl)oxy]methyl]propyl ester

Preferred Name

English

3-Hydroxy-2,2-bis(((1-oxoallyl)oxy)methyl)propyl aziridine-1-propionate

Systematic Name

English

1-Aziridinepropanoic acid, 3-hydroxy-2,2-bis[[(1-oxo-2-propenyl)oxy]methyl]propyl ester

Systematic Name

English

2-(Hydroxymethyl)-3-[(1-oxo-2-propen-1-yl)oxy]-2-[[(1-oxo-2-propen-1-yl)oxy]methyl]propyl 1-aziridinepropanoate

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

300-969-2

Created by admin on Tue Apr 01 19:19:53 GMT 2025 , Edited by admin on Tue Apr 01 19:19:53 GMT 2025

PRIMARY

PUBCHEM

44147936

Created by admin on Tue Apr 01 19:19:53 GMT 2025 , Edited by admin on Tue Apr 01 19:19:53 GMT 2025

PRIMARY

EPA CompTox

DTXSID70240017

Created by admin on Tue Apr 01 19:19:53 GMT 2025 , Edited by admin on Tue Apr 01 19:19:53 GMT 2025

PRIMARY

CAS

93965-20-9

Created by admin on Tue Apr 01 19:19:53 GMT 2025 , Edited by admin on Tue Apr 01 19:19:53 GMT 2025

PRIMARY

FDA UNII

5GSU45W6R9

Created by admin on Tue Apr 01 19:19:53 GMT 2025 , Edited by admin on Tue Apr 01 19:19:53 GMT 2025

PRIMARY

SUBSTANCE RECORD


					5GSU45W6R9

3-Hydroxy-2,2-bis(((1-oxoallyl)oxy)methyl)propyl aziridine-1-propionate