基本情報
- CAS
1502-95-0- 標準SMILES
CC(=O)Oc1ccc2c3c1O[C@H]1[C@@H](OC(C)=O)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341.Cl- InChIKey
FZJYQGFGNHGSFX-PVQKIFDLSA-N- 分子式
- C21H24ClNO5
- 平均分子量
- 405.9 g/mol
- 単同位体質量
- 405.1343006
概要
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)
名称と識別子
- 優先名称
- (-)-Heroin hydrochloride
- IUPAC
- [(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
名称と別名
Heroin hydrochlorideDiamorphine hydrochlorideDiacetylmorphine hydrochloride1502-95-0Diacetylmorphine HClHeroine hydrochloride(-)-Heroin hydrochlorideDTXSID2048909NSC-3023578H672SHT8EDiacetylmorphine hydrochloride ciDTXCID9028835
名称をさらに表示
NSC302357RefChem:783763Morphinan-3,6alpha-diol, 7,8-didehydro-4,5alpha-epoxy-17-methyl-, Morphine, Diacetate (ester), HydrochlorideO,O'-Diacetylmorphine hydrochlorideMorphine, diacetate (ester), hydrochlorideMorphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl-, diacetateMorphinan-3,6alpha-diol, 7,8-didehydro-4,5alpha-epoxy-17-methyl-,Morphinan-3,6-alpha-diol, 7,8-didehydro-4,5-alpha-epoxy-17-methyl-, diacetate (ester), hydrochloride
データベース識別子
- CAS
1502-95-0- PubChem CID
- 9844225
- DTXSID
DTXSID2048909- ChEMBL
CHEMBL2106627- UNII
- 8H672SHT8E
- EC Number
- 216-124-5
物性
構造計算による物性
- 極性表面積
- 65.1 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 6
- 回転可能結合数
- 4
- 重原子数
- 28
- 形式電荷
- 0
- 複雑度
- 692
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H300 (68.9%): Fatal if swallowed [Danger Acute toxicity, oral]
P233, P260, P261, P262, P264, P270, P271, P272, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P316, P317, P321, P330, P333+P317, P342+P316, P361+P364, P362+P364, P403, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 61 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 2 (68.9%)
化学と産業
薬理情報
MeSH Pharmacological Classification
Compounds with activity like OPIATE ALKALOIDS, acting at OPIOID RECEPTORS. Properties include induction of ANALGESIA or NARCOSIS.
Agents that induce NARCOSIS. Narcotics include agents that cause somnolence or induced sleep (STUPOR); natural or synthetic derivatives of OPIUM or MORPHINE or any substance that has such effects. They are potent inducers of ANALGESIA and OPIOID-RELATED DISORDERS.
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