CHLOPHEDIANOL

Search structure


Synonyms:	Antitussin Chlophedianol Clofedanol NSC-113595 Tussistop
Status:	Approved (1982)
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
UNII:	42C50P12AP

Structure


InChI Key	WRCHFMBCVFFYEQ-UHFFFAOYSA-N
Smile	CN(C)CCC(O)(c1ccccc1)c1ccccc1Cl
InChI	InChI=1S/C17H20ClNO/c1-19(2)13-12-17(20,14-8-4-3-5-9-14)15-10-6-7-11-16(15)18/h3-11,20H,12-13H2,1-2H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C17H20ClNO
Molecular Weight	289.81
AlogP	3.53
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	23.47
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	20.0

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference

Cross References

Resources	Reference
ChEBI	135207
ChEMBL	CHEMBL1201313
DrugBank	DB04837
DrugCentral	585
EPA CompTox	DTXSID4022789
FDA SRS	42C50P12AP
Human Metabolome Database	HMDB0015585
Guide to Pharmacology	7324
PharmGKB	PA164748134
PubChem	2795
SureChEMBL	SCHEMBL29734

CONTENTS