BRL-47539

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H15IO4
Molecular Weight	314.1175
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(=O)OCC(CCI)COC(C)=O

InChI

InChIKey=BBRUXHDMYDKKTH-UHFFFAOYSA-N

InChI=1S/C9H15IO4/c1-7(11)13-5-9(3-4-10)6-14-8(2)12/h9H,3-6H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C9H15IO4
Molecular Weight	314.1175
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 `Mon Mar 31 18:05:04 GMT 2025` Edited by `admin` on `Mon Mar 31 18:05:04 GMT 2025`
Record UNII	UGI04T2ZSI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BRL-47539

Common Name

English

BRL 47539

Preferred Name

English

2-ACETOXYMETHYL-4-IODOBUTYL 1-ACETATE

Systematic Name

English

2-ACETOXYMETHYL-4-IODOBUT-1-YL ACETATE

Systematic Name

English

1,3-PROPANEDIOL, 2-(2-IODOETHYL)-, DIACETATE

Systematic Name

English

2-(ACETOXYMETHYL)-4-IODOBUTYL ACETATE

Systematic Name

English

Code System Code Type Description

PUBCHEM

153912

Created by admin on Mon Mar 31 18:05:04 GMT 2025 , Edited by admin on Mon Mar 31 18:05:04 GMT 2025

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FDA UNII

UGI04T2ZSI

Created by admin on Mon Mar 31 18:05:04 GMT 2025 , Edited by admin on Mon Mar 31 18:05:04 GMT 2025

PRIMARY

CAS

127047-77-2

Created by admin on Mon Mar 31 18:05:04 GMT 2025 , Edited by admin on Mon Mar 31 18:05:04 GMT 2025

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EPA CompTox

DTXSID70155394

Created by admin on Mon Mar 31 18:05:04 GMT 2025 , Edited by admin on Mon Mar 31 18:05:04 GMT 2025

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