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(+)-Bulbocapnine Hydrochloride

CAT: 0572-TRC-B694325-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B694325-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
632-47-3
Synonyms
(+)-Bulbocapnine hydrochloride; (S)-Bulbocapnine hydrochloride; 2-(Methylenedioxy)-6aα-aporphin-11-ol hydrochloride
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
Cl.COc1ccc2C[C@@H]3N(C)CCc4cc5OCOc5c(c34)c2c1O
Molecular Formula
C19 H19 N O4 . H Cl
Molecular Weight
361.819
InChI
InChI=1S/C19H19NO4.ClH/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17;/h3-4,8,12,21H,5-7,9H2,1-2H3;1H/t12-;/m0./s1
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Bulbocapnine hydrochloride
CAS Number632-47-3
PubChem CID16219195
IUPAC Name(12S)-17-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-18-ol;hydrochloride
Molecular FormulaC19H20ClNO4
Molecular Weight361.8
Topological Polar Surface Area51.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count25
Formal Charge0
Complexity488
SMILES
CN1CCC2=CC3=C(C4=C2[C@@H]1CC5=C4C(=C(C=C5)OC)O)OCO3.Cl
InChI
InChI=1S/C19H19NO4.ClH/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17;/h3-4,8,12,21H,5-7,9H2,1-2H3;1H/t12-;/m0./s1
InChIKey
SRGIVPUDHITDMK-YDALLXLXSA-N
Chemical Structure
2D Structure
2D structure of Bulbocapnine hydrochloride
CAS: 632-47-3
CID: 16219195
Formula: C19H20ClNO4
MW: 361.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight361.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass361.1080858
Monoisotopic Mass361.1080858
Topological Polar Surface Area51.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity488
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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