Chem
J-GLOBAL ID:200907055363695786   Nikkaji number:J280.525A

Betacetylmethadol

ベタセチルメタドール
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: C23H31NO2
Molecular formula furigana: C23-H31-N-O2
Molecular weight: 353.506
InChI: InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3/t18-,22+/m1/s1
InChI key: XBMIVRRWGCYBTQ-GCJKJVERSA-N
SMILES: CC[C@H](OC(=O)C)C(C[C@@H](C)N(C)C)(c1ccccc1)c1ccccc1
Systematic name  (3):
  • (S)-β-[(R)-2-(ジメチルアミノ)プロピル]-α-エチル-β-フェニルベンゼンエタノールアセタート
  • (3S,6R)-6-(ジメチルアミノ)-4,4-ジフェニルヘプタン-3-イル アセタート
  • (3S,6R)-6-(dimethylamino)-4,4-diphenylheptan-3-yl acetate
Other name (3):
  • ベタセチルメタドール
  • Betacetylmethadol
  • (S)-β-[(R)-2-(Dimethylamino)propyl]-α-ethyl-β-phenylbenzeneethanol acetate
CAS registry number: 17199-59-6
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