Chem
J-GLOBAL ID:200907010906844163   Nikkaji number:J6.494G

Heroin

ヘロイン
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C21H23NO5
Molecular formula furigana: C21-H23-N-O5
Molecular weight: 369.417
InChI: InChI=1S/C21H23NO5/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/t14-,15+,17-,20-,21-/m0/s1
InChI key: GVGLGOZIDCSQPN-PVHGPHFFSA-N
SMILES: CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OC(=O)C)ccc5OC(=O)C
Systematic name  (3):
  • 7,8-ジデヒドロ-4,5α-エポキシ-17-メチルモルフィナン-3,6α-ジオールジアセタート
  • (1S,5R,13R,14S,17R)-10-(アセチルオキシ)-4-メチル-12-オキサ-4-アザペンタシクロ[9.6.1.01,13.05,17.07,18]オクタデカ-7,9,11(18),15-テトラエン-14-イル アセタート
  • (1S,5R,13R,14S,17R)-10-(acetyloxy)-4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18),15-tetraen-14-yl acetate
Other name (21):
  • ジアセチルモルフィン
  • Diacetylmorphine
  • Diamorphine
  • Heroin
  • ヘロイン
Show all
CAS registry number: 561-27-3
Regulation number (1):
  • EINECS2092177
KEGG DRUG: D07286
KEGG COMPOUND: C06534
Application (3):
psychotropic drug ,  central nervous system stimulant ,  narcotic analgesic
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