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Salutaridine

CAT: 0926-BAA93618-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-BAA93618-01Size:1 mg
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CAS Number
1936-18-1
Smiles
CN1CCC23C=C (C (=O) C=C2C1CC4=C3C (=C (C=C4) OC) O) OC
Molecular Formula
C19H21NO4
Molecular Weight
327.4 g/mol
Controlled
Yes

Chemical Information

Salutaridine

Salutaridine is a morphinane alkaloid from the opium poppy, in which the 5,6,8,14-tetradehydromorphinan-7-one skeleton is substituted at position 4 by a hydroxyl group, positions 3 and 6 by methoxy groups and position N17 by a methyl group. An intermediate in the biosynthesis of narcotic analgesics such as morphine and codeine. It has a role as a metabolite and an anti-HBV agent. It is a conjugate base of a salutaridinium(1+). It derives from a hydride of a morphinan.

CAS Number1936-18-1
PubChem CID5408233
IUPAC Name(1S,9R)-3-hydroxy-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-12-one
Molecular FormulaC19H21NO4
Molecular Weight327.4
XLogP1.9
Topological Polar Surface Area59
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity612
SMILES
CN1CC[C@]23C=C(C(=O)C=C2[C@H]1CC4=C3C(=C(C=C4)OC)O)OC
InChI
InChI=1S/C19H21NO4/c1-20-7-6-19-10-16(24-3)14(21)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9-10,13,22H,6-8H2,1-3H3/t13-,19+/m1/s1
InChIKey
GVTRUVGBZQJVTF-YJYMSZOUSA-N
Chemical Structure
2D Structure
2D structure of Salutaridine
CAS: 1936-18-1
CID: 5408233
Formula: C19H21NO4
MW: 327.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight327.4
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass327.14705815
Monoisotopic Mass327.14705815
Topological Polar Surface Area59 Ų
Heavy Atom Count24
Formal Charge0
Complexity612
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

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S100640Salutaridine
465840-01Salutaridine Acetate
T5760-01(-​) ​-​Salutaridine
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