DESERPIDINE

Search structure
Trade Names:
Synonyms:
Status: Approved (1957)
Entry Type: Small molecule
Molecule Category: Parent
ATC: C02AA05
UNII: 9016E3VB47

Structure
InChI Key CVBMAZKKCSYWQR-WCGOZPBSSA-N
Smile COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC
InChI
InChI=1S/C32H38N2O8/c1-37-24-12-17(13-25(38-2)29(24)39-3)31(35)42-26-14-18-16-34-11-10-20-19-8-6-7-9-22(19)33-28(20)23(34)15-21(18)27(30(26)40-4)32(36)41-5/h6-9,12-13,18,21,23,26-27,30,33H,10-11,14-16H2,1-5H3/t18-,21+,23-,26-,27+,30+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H38N2O8
Molecular Weight 578.66
AlogP 4.16
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 108.55
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 42.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Synaptic vesicular amine transporter inhibitor Wikipedia DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

MCS

Scaffolds

Mixture
Mixture

Cross References

Resources Reference
CAS NUMBER 131-01-1
ChEBI 27478
ChEMBL CHEMBL1200515
DrugBank DB01089
DrugCentral 810
EPA CompTox DTXSID8020383
FDA SRS 9016E3VB47
Human Metabolome Database HMDB0015221
Guide to Pharmacology 7064
KEGG C06541
PharmGKB PA164742966
PubChem 8550
SureChEMBL SCHEMBL259343
ZINC ZINC000004097186
CONTENTS