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Hydrocodone Hydrochloride

CAT: 0572-TRC-H745165-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H745165-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
25968-91-6
Synonyms
4,5alpha-Epoxy-3-methoxy-17-methyl-morphinan-6-one Hydrochloride; 7,8-Dihydrocodeinone Hydrochloride; Dihydrocodeinone Hydrochloride; NSC 117856; NSC 35549; FDA 2021
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
Cl.COc1ccc2C[C@@H]3[C@@H]4CCC(=O)[C@@H]5Oc1c2[C@]45CCN3C
Molecular Formula
C18H21NO3 . HCl
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Hydrocodone hydrochloride
CAS Number25968-91-6
PubChem CID12358607
IUPAC Name(4R,4aR,7aR,12bS)-9-methoxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydrochloride
Molecular FormulaC18H22ClNO3
Molecular Weight335.8
Topological Polar Surface Area38.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity509
SMILES
CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3C(=O)CC4.Cl
InChI
InChI=1S/C18H21NO3.ClH/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;/h3,6,11-12,17H,4-5,7-9H2,1-2H3;1H/t11-,12+,17-,18-;/m0./s1
InChIKey
GCJAEXSZUXBMFS-RNWHKREASA-N
Chemical Structure
2D Structure
2D structure of Hydrocodone hydrochloride
CAS: 25968-91-6
CID: 12358607
Formula: C18H22ClNO3
MW: 335.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight335.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass335.1288213
Monoisotopic Mass335.1288213
Topological Polar Surface Area38.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity509
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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