DIMEPHEPTANOL

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: NNB4I01PA7

Structure
InChI Key QIRAYNIFEOXSPW-UHFFFAOYSA-N
Smile CCC(O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1
InChI
InChI=1S/C21H29NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20,23H,5,16H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H29NO
Molecular Weight 311.47
AlogP 4.08
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 23.47
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 23.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Heroin Dependence 2 D006556 ClinicalTrials

Cross References

Resources Reference
ChEBI 135332
ChEMBL CHEMBL368591
DrugCentral 3730
EPA CompTox DTXSID40110031
FDA SRS NNB4I01PA7
PubChem 28397
SureChEMBL SCHEMBL25787
CONTENTS