Hydrocodone

CAT: 0926-AAA84786-03Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-AAA84786-03Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

847-86-9

Smiles

CN1CCC23CC (=O) CCC2C1CC4=C3C (=C (C=C4) OC) O

Molecular Formula

C18H23NO3

Molecular Weight

301.4 g/mol

Controlled

Yes

Chemical Information

4-Hydroxy-3-methoxy-17-methylmorphinan-6-one

CAS Number	847-86-9
PubChem CID	5355412
IUPAC Name	(1S,9R,10R)-3-hydroxy-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
Molecular Formula	C18H23NO3
Molecular Weight	301.4
XLogP	1.9
Topological Polar Surface Area	49.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	22
Formal Charge	0
Complexity	467

SMILES

CN1CC[C@]23CC(=O)CC[C@H]2[C@H]1CC4=C3C(=C(C=C4)OC)O

InChI

InChI=1S/C18H23NO3/c1-19-8-7-18-10-12(20)4-5-13(18)14(19)9-11-3-6-15(22-2)17(21)16(11)18/h3,6,13-14,21H,4-5,7-10H2,1-2H3/t13-,14+,18-/m0/s1

InChIKey

CDGFTOARGCEWKI-IYOUNJFTSA-N

Chemical Structure

2D Structure

CAS: 847-86-9

CID: 5355412

Formula: C18H23NO3

MW: 301.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	301.4
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	301.16779360
Monoisotopic Mass	301.16779360
Topological Polar Surface Area	49.8 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	467
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AAA79538-01	6β-Hydrocodol