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Details

Stereochemistry ACHIRAL
Molecular Formula C9H17BrO2
Molecular Weight 237.134
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETHYL 7-BROMOHEPTANOATE

SMILES

CCOC(=O)CCCCCCBr

InChI

InChIKey=OOBFNDGMAGSNKA-UHFFFAOYSA-N
InChI=1S/C9H17BrO2/c1-2-12-9(11)7-5-3-4-6-8-10/h2-8H2,1H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
ETHYL 7-BROMOHEPTANOATE
Systematic Name English
TIANEPTINE SODIUM IMPURITY A [EP IMPURITY]
Preferred Name English
7-BROMOHEPTANOIC ACID ETHYL ESTER
Systematic Name English
HEPTANOIC ACID, 7-BROMO-, ETHYL ESTER
Systematic Name English
Code System Code Type Description
PUBCHEM
122490
Created by admin on Tue Apr 01 19:43:21 GMT 2025 , Edited by admin on Tue Apr 01 19:43:21 GMT 2025
PRIMARY
FDA UNII
M5QR4GAP1S
Created by admin on Tue Apr 01 19:43:21 GMT 2025 , Edited by admin on Tue Apr 01 19:43:21 GMT 2025
PRIMARY
EPA CompTox
DTXSID80183961
Created by admin on Tue Apr 01 19:43:21 GMT 2025 , Edited by admin on Tue Apr 01 19:43:21 GMT 2025
PRIMARY
CAS
29823-18-5
Created by admin on Tue Apr 01 19:43:21 GMT 2025 , Edited by admin on Tue Apr 01 19:43:21 GMT 2025
PRIMARY
ECHA (EC/EINECS)
249-883-6
Created by admin on Tue Apr 01 19:43:21 GMT 2025 , Edited by admin on Tue Apr 01 19:43:21 GMT 2025
PRIMARY
NIH
NCATS
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