CROTAMITON

Search structure
Trade Names:
Synonyms:
Status: Approved (1949)
Entry Type: Small molecule
Molecule Category: Parent
UNII: D6S4O4XD0H

Structure
InChI Key DNTGGZPQPQTDQF-XBXARRHUSA-N
Smile C/C=C/C(=O)N(CC)c1ccccc1C
InChI
InChI=1S/C13H17NO/c1-4-8-13(15)14(5-2)12-10-7-6-9-11(12)3/h4,6-10H,5H2,1-3H3/b8-4+

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H17NO
Molecular Weight 203.28
AlogP 2.92
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 20.31
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 15.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Injury, poisoning and procedural complications
27.27
Skin and subcutaneous tissue disorders
27.27
Congenital, familial and genetic disorders
18.18
General disorders and administration site conditions
18.18
Immune system disorders
9.09

Cross References

Resources Reference
CAS NUMBER 483-63-6
ChEMBL CHEMBL1200709
DrugBank DB00265
FDA SRS D6S4O4XD0H
Guide to Pharmacology 11165
PharmGKB PA164745460
PubChem 688020
SureChEMBL SCHEMBL32934
ZINC ZINC000000056427
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