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Reserpine extrapure, 99%

CAT: 0565-46861-02Size: 5 gDry Ice: NoHazardous: No
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Description
Part B
CAS Number
50-55-5
Storage Temperature
8 - 25°C

Chemical Information

Reserpine

Reserpine can cause cancer according to California Labor Code.

CAS Number50-55-5
PubChem CID5770
IUPAC Namemethyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Molecular FormulaC33H40N2O9
Molecular Weight608.7
XLogP4
Topological Polar Surface Area118
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Heavy Atom Count44
Formal Charge0
Complexity1000
SMILES
CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC
InChI
InChI=1S/C33H40N2O9/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/t18-,22+,24-,27-,28+,31+/m1/s1
InChIKey
QEVHRUUCFGRFIF-MDEJGZGSSA-N
Chemical Structure
2D Structure
2D structure of Reserpine
CAS: 50-55-5
CID: 5770
Formula: C33H40N2O9
MW: 608.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight608.7
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Exact Mass608.27338086
Monoisotopic Mass608.27338086
Topological Polar Surface Area118 Ų
Heavy Atom Count44
Formal Charge0
Complexity1000
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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