COCAETHYLENE

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: FJO3071W5Y

Structure
InChI Key NMPOSNRHZIWLLL-SSHXOBKSSA-N
Smile CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)N2C
InChI
InChI=1S/C18H23NO4/c1-3-22-18(21)16-14-10-9-13(19(14)2)11-15(16)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,3,9-11H2,1-2H3/t13?,14?,15-,16+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H23NO4
Molecular Weight 317.39
AlogP 2.26
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 55.84
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 23.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Cocaine-Related Disorders 1 D019970 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL608806
FDA SRS FJO3071W5Y
PubChem 644006
SureChEMBL SCHEMBL1649961
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