Heroin

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Heroin
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	9844225
Chemical data
Formula	C21H24ClNO5
Mol. mass	405.87196
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

Description

A narcotic analgesic that may be habit-forming. It is a controlled substance (opium derivative) listed in the U.S. Code of Federal Regulations, Title 21 Parts 329.1, 1308.11 (1987). Sale is forbidden in the United States by Federal statute. (Merck Index, 11th ed)

General Properties

*Molecular Weight

405.87196

*Molecular Formula

C₂₁H₂₄ClNO₅

*IUPAC NAME

N/A

*Canonical Smiles

CC(=O)OC1C=CC2C3CC4=C5C2(C1OC5=C(C=C4)OC(=O)C)CCN3C.Cl

*Isomeric Smiles

CC(=O)O[C@H]1C=C[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)OC(=O)C)CCN3C.Cl

*XLogP

N/A

*Topological Polar Surface Area

65.1

External Links

• Pubchem

Link to BIAdb Database