RESERPINE HYDROCHLORIDE

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Keyword(s): Human Metabolites
Molecule Category Salt-form
UNII GWN3C4FTI8

Structure

InChI Key ZYWIWGUMKCZKOO-BQTSRIDJSA-N
Smiles Cl.CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c6cc(OC)c(OC)c(OC)c6
InChI
InChI=1/C33H40N2O9.ClH/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19;/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C33H41ClN2O9
Molecular Weight 644.25
AlogP 4.59
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 117.78
Heavy Atoms 45.0

Cross References

Resources Reference
CAS NUMBER 16994-56-2
NORMAN SUSDAT
FDA SRS GWN3C4FTI8
CONTENTS