Products for Research Use Only
RegisterLogin

Desocodeine

CAT: 0926-DAA99001-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-DAA99001-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
3990-01-0
Smiles
CN1CCC23C4C1CC5=C2C (=C (C=C5) OC) OC3CCC4
Molecular Formula
C18H23NO2
Molecular Weight
285.4 g/mol
Controlled
Yes

Chemical Information

Dihydrodeoxycodeine
CAS Number3990-01-0
PubChem CID5492803
IUPAC Name(4R,4aR,7aS,12bS)-9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
Molecular FormulaC18H23NO2
Molecular Weight285.4
XLogP3.1
Topological Polar Surface Area21.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity441
SMILES
CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3CCC4
InChI
InChI=1S/C18H23NO2/c1-19-9-8-18-12-4-3-5-15(18)21-17-14(20-2)7-6-11(16(17)18)10-13(12)19/h6-7,12-13,15H,3-5,8-10H2,1-2H3/t12-,13+,15-,18+/m0/s1
InChIKey
ZJWPQUSUXBOTPF-SCGCMHLBSA-N
Chemical Structure
2D Structure
2D structure of Dihydrodeoxycodeine
CAS: 3990-01-0
CID: 5492803
Formula: C18H23NO2
MW: 285.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight285.4
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass285.172878976
Monoisotopic Mass285.172878976
Topological Polar Surface Area21.7 Ų
Heavy Atom Count21
Formal Charge0
Complexity441
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
446378-01Desocodeine
CS-TB-15453Desocodeine-d3
TRC-KIT4110-10X1MLDesocodeine (1mg/ml in Acetonitrile)

Popular Products