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Morphine monohydrate

CAT: 0926-GAA00981Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-GAA00981Size:250 mg
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CAS Number
6009-81-0
Smiles
CN1CCC23C4C1CC5=C2C (=C (C=C5) O) OC3C (C=C4) O.O
Molecular Formula
C17H21NO4
Molecular Weight
303.35 g/mol
Controlled
Yes

Chemical Information

Morphine Monohydrate
CAS Number6009-81-0
PubChem CID21118682
IUPAC Name(4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol;hydrate
Molecular FormulaC17H21NO4
Molecular Weight303.35
Topological Polar Surface Area53.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count22
Formal Charge0
Complexity494
SMILES
CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O.O
InChI
InChI=1S/C17H19NO3.H2O/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;/h2-5,10-11,13,16,19-20H,6-8H2,1H3;1H2/t10-,11+,13-,16-,17-;/m0./s1
InChIKey
IYXRQFVHZFEWSY-VYKNHSEDSA-N
Chemical Structure
2D Structure
2D structure of Morphine Monohydrate
CAS: 6009-81-0
CID: 21118682
Formula: C17H21NO4
MW: 303.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight303.35
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass303.14705815
Monoisotopic Mass303.14705815
Topological Polar Surface Area53.9 Ų
Heavy Atom Count22
Formal Charge0
Complexity494
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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