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Sinomenine Hydrochloride

CAT: 0572-TRC-S487500-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-S487500-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6080-33-7
Synonyms
Sinomenine hydrochloride (6CI,7CI); Cucoline, hydrochloride; NSC 76021; Sinomenin hydrochloride; 9alpha,13alpha,14alpha-Morphinan-6-one, 7,8-didehydro-4-hydroxy-3,7-dimethoxy-17-methyl-, hydrochloride (8CI); Morphinan-6-one, 7,8-didehydro-4-hydroxy-3,7-dimethoxy-17-methyl-, hydrochloride, (9alpha,13alpha,14alpha)- (9CI); Morphinan-6-one, 7,8-didehydro-4-hydroxy-3,7-dimethoxy-17-methyl-, hydrochloride (1:1), (9alpha,13alpha,14alpha)-
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
Cl.COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)CC1=O
Molecular Formula
C19 H23 N O4 . Cl H
Molecular Weight
365.85
InChI
InChI=1S/C19H23NO4.ClH/c1-20-7-6-19-10-14(21)16(24-3)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19;/h4-5,9,12-13,22H,6-8,10H2,1-3H3;1H/t12-,13+,19-;/m1./s1
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Sinomenine Hydrochloride
CAS Number6080-33-7
PubChem CID5464452
IUPAC Name(1R,9S,10S)-3-hydroxy-4,12-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one;hydrochloride
Molecular FormulaC19H24ClNO4
Molecular Weight365.8
Topological Polar Surface Area59
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity562
SMILES
CN1CC[C@@]23CC(=O)C(=C[C@@H]2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC.Cl
InChI
InChI=1S/C19H23NO4.ClH/c1-20-7-6-19-10-14(21)16(24-3)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19;/h4-5,9,12-13,22H,6-8,10H2,1-3H3;1H/t12-,13+,19-;/m1./s1
InChIKey
YMEVIMJAUHZFMW-VUIDNZEBSA-N
Chemical Structure
2D Structure
2D structure of Sinomenine Hydrochloride
CAS: 6080-33-7
CID: 5464452
Formula: C19H24ClNO4
MW: 365.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight365.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass365.1393859
Monoisotopic Mass365.1393859
Topological Polar Surface Area59 Ų
Heavy Atom Count25
Formal Charge0
Complexity562
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes