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Details

Stereochemistry ACHIRAL
Molecular Formula C13H15NO2
Molecular Weight 217.2637
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-METHYL-1-PHENYL-1H-PYRROLE-2,3-DIMETHANOL

SMILES

CC1=CC(CO)=C(CO)N1C2=CC=CC=C2

InChI

InChIKey=XMMNSXZBSBMXLU-UHFFFAOYSA-N
InChI=1S/C13H15NO2/c1-10-7-11(8-15)13(9-16)14(10)12-5-3-2-4-6-12/h2-7,15-16H,8-9H2,1H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
PubMed

PubMed

TitleDatePubMed
Carcinogenicity of some pyrrolic pyrrolizidine alkaloid metabolites and analogues.
1982-10
Liver cell enlargement in rats given hydroxymethyl pyrroles analogous to pyrrolizidine alkaloid metabolites, followed later by the hepatotoxin dimethylnitrosamine.
1981-06-01
Name Type Language
1H-PYRROLE-2,3-DIMETHANOL, 5-METHYL-1-PHENYL-
Preferred Name English
5-METHYL-1-PHENYL-1H-PYRROLE-2,3-DIMETHANOL
Systematic Name English
Code System Code Type Description
CAS
68384-87-2
Created by admin on Mon Mar 31 18:53:03 GMT 2025 , Edited by admin on Mon Mar 31 18:53:03 GMT 2025
PRIMARY
FDA UNII
4O4A83U41G
Created by admin on Mon Mar 31 18:53:03 GMT 2025 , Edited by admin on Mon Mar 31 18:53:03 GMT 2025
PRIMARY
EPA CompTox
DTXSID70987930
Created by admin on Mon Mar 31 18:53:03 GMT 2025 , Edited by admin on Mon Mar 31 18:53:03 GMT 2025
PRIMARY
PUBCHEM
152836
Created by admin on Mon Mar 31 18:53:03 GMT 2025 , Edited by admin on Mon Mar 31 18:53:03 GMT 2025
PRIMARY
NIH
NCATS
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