PIPENZOLATE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: A03AB14
UNII: RS3K5YXV34

Structure
InChI Key WPUKUEMZZRVAKZ-UHFFFAOYSA-N
Smile CC[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1
InChI
InChI=1S/C22H28NO3/c1-3-23(2)16-10-15-20(17-23)26-21(24)22(25,18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-9,11-14,20,25H,3,10,15-17H2,1-2H3/q+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H28NO3+
Molecular Weight 354.47
AlogP 3.09
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 46.53
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 26.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 95178
ChEMBL CHEMBL1619528
DrugBank DB13844
DrugCentral 2185
EPA CompTox DTXSID9048481
FDA SRS RS3K5YXV34
PubChem 4832
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