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Details

Stereochemistry ACHIRAL
Molecular Formula C10H13NO3.ClH.H2O
Molecular Weight 249.691
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DAMASCENINE HYDROCHLORIDE MONOHYDRATE

SMILES

O.Cl.CNC1=C(OC)C=CC=C1C(=O)OC

InChI

InChIKey=YFHNXFPDIQHHQC-UHFFFAOYSA-N
InChI=1S/C10H13NO3.ClH.H2O/c1-11-9-7(10(12)14-3)5-4-6-8(9)13-2;;/h4-6,11H,1-3H3;1H;1H2

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
DAMASCENINE HYDROCHLORIDE MONOHYDRATE
Common Name English
M-ANISIC ACID, 2-(METHYLAMINO)-, METHYL ESTER, HYDROCHLORIDE, MONOHYDRATE
Common Name English
BENZOIC ACID, 3-METHOXY-2-(METHYLAMINO)-, METHYL ESTER, HYDROCHLORIDE, MONOHYDRATE
Common Name English
Code System Code Type Description
PUBCHEM
71586837
Created by admin on Fri Dec 15 17:18:08 GMT 2023 , Edited by admin on Fri Dec 15 17:18:08 GMT 2023
PRIMARY
FDA UNII
3V8D3WXV0A
Created by admin on Fri Dec 15 17:18:08 GMT 2023 , Edited by admin on Fri Dec 15 17:18:08 GMT 2023
PRIMARY
EPA CompTox
DTXSID30208577
Created by admin on Fri Dec 15 17:18:08 GMT 2023 , Edited by admin on Fri Dec 15 17:18:08 GMT 2023
PRIMARY
CAS
5986-11-8
Created by admin on Fri Dec 15 17:18:08 GMT 2023 , Edited by admin on Fri Dec 15 17:18:08 GMT 2023
PRIMARY
NIH
NCATS
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