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Heroin hydrochloride

CAT: 0926-BAA50295-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-BAA50295-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1502-95-0
MDL Number
MFCD00190605
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
Molecular Formula
C21H23NO5·HCl
Molecular Weight
405.87 g/mol
Controlled
Yes

Chemical Information

(-)-Heroin hydrochloride

Diacetylmorphine Hydrochloride is the hydrochloride salt of a diacetyl derivative of the opiate morphine, a naturally occurring alkaloid extracted from the seedpod of the Asian poppy (Papaver sp.). Once administered, diamorphine (or diacetylmorphine) is rapidly hydrolyzed to 6-monoacetylmorphine (6-MAM) and then to the end-product morphine which binds to opiate receptors located throughout the mammalian nervous and gastrointestinal systems. Inducing a potent analgesia, the use of diamoprhine is often escalated due to a tolerance effect, resulting in abuse that is associated with fatal overdose, abortion, venous sclerosis, and opportunistic infections, among other adverse effects. (NCI04)

CAS Number1502-95-0
PubChem CID9844225
IUPAC Name[(4R,4aR,7S,7aR,12bS)-9-acetyloxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate;hydrochloride
Molecular FormulaC21H24ClNO5
Molecular Weight405.9
Topological Polar Surface Area65.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity692
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
InChI
InChI=1S/C21H23NO5.ClH/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20;/h4-7,14-15,17,20H,8-10H2,1-3H3;1H/t14-,15+,17-,20-,21-;/m0./s1
InChIKey
FZJYQGFGNHGSFX-PVQKIFDLSA-N
Chemical Structure
2D Structure
2D structure of (-)-Heroin hydrochloride
CAS: 1502-95-0
CID: 9844225
Formula: C21H24ClNO5
MW: 405.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight405.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass405.1343006
Monoisotopic Mass405.1343006
Topological Polar Surface Area65.1 Ų
Heavy Atom Count28
Formal Charge0
Complexity692
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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