METHYLATROPINE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: A03BB02
UNII: 80719I460H

Structure
InChI Key PIPAJLPNWZMYQA-UHFFFAOYSA-N
Smile C[N+]1(C)C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2
InChI
InChI=1S/C18H26NO3/c1-19(2)14-8-9-15(19)11-16(10-14)22-18(21)17(12-20)13-6-4-3-5-7-13/h3-7,14-17,20H,8-12H2,1-2H3/q+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H26NO3+
Molecular Weight 304.41
AlogP 2.08
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 46.53
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 22.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1187724
DrugBank DB13833
EPA CompTox DTXSID5046932
FDA SRS 80719I460H
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