ISOPROPAMIDE

Search structure


Synonyms:	Isopropamide Isopropamide cation Isopropamide ion
Status:	Approved (1957)
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
ATC:	A03AB09
UNII:	8B9I31H724

Structure


InChI Key	JTPUMZTWMWIVPA-UHFFFAOYSA-O
Smile	CC(C)[N+](C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C
InChI	InChI=1S/C23H32N2O/c1-18(2)25(5,19(3)4)17-16-23(22(24)26,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3,(H-,24,26)/p+1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C23H33N2O+
Molecular Weight	353.53
AlogP	4.11
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	8.0
Polar Surface Area	43.09
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	26.0

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference

Cross References

Resources	Reference
ChEBI	6043
ChEMBL	CHEMBL1201232
DrugBank	DB01625
DrugCentral	1500
EPA CompTox	DTXSID9023174
FDA SRS	8B9I31H724
Human Metabolome Database	HMDB0015562
KEGG	C07055
PharmGKB	PA164781398
PubChem	3775
SureChEMBL	SCHEMBL100256
ZINC	ZINC000001530668

CONTENTS