RESCINNAMINE

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Trade Names:
Synonyms:
Status: Approved (1956)
Entry Type: Small molecule
Molecule Category: Parent
ATC: C02AA01
UNII: Q6W1F7DJ2D

Structure
InChI Key SZLZWPPUNLXJEA-QEGASFHISA-N
Smile COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC
InChI
InChI=1S/C35H42N2O9/c1-40-21-8-9-22-23-11-12-37-18-20-15-29(46-30(38)10-7-19-13-27(41-2)33(43-4)28(14-19)42-3)34(44-5)31(35(39)45-6)24(20)17-26(37)32(23)36-25(22)16-21/h7-10,13-14,16,20,24,26,29,31,34,36H,11-12,15,17-18H2,1-6H3/b10-7+/t20-,24+,26-,29-,31+,34+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C35H42N2O9
Molecular Weight 634.73
AlogP 4.57
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 9.0
Polar Surface Area 117.78
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 46.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

MCS

Scaffolds

Side Effects from Label

Cross References

Resources Reference
CAS NUMBER 24815-24-5
ChEBI 28572
ChEMBL CHEMBL1668
DrugCentral 2369
EPA CompTox DTXSID3023554
FDA SRS Q6W1F7DJ2D
Guide to Pharmacology 7098
KEGG C06540
PharmGKB PA164768818
PubChem 5280954
SureChEMBL SCHEMBL181966
ZINC ZINC000004097185
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