Chem
J-GLOBAL ID:200907014894550245
Nikkaji number:J2.677.092K
Obatoclax
オバトクラックス
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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:
C20 H19 N3 O
Molecular formula furigana:
C20-H19-N3-O
Molecular weight:
317.392
InChI:
InChI=1S/C20H19N3O/c1-12-8-13(2)21-16(12)10-19-20(24-3)11-18(23-19)17-9-14-6-4-5-7-15(14)22-17/h4-11,21-22H,1-3H3
InChI key:
RFTSSZJZXOSICM-UHFFFAOYSA-N
SMILES:
COC1=CC(=NC1=Cc1[nH]c(C)cc1C)c1cc2ccccc2[nH]1
Systematic name (3):
2-[2-[(3,5-ジメチル-2-ピロリル)メチレン]-3-メトキシ-2H-ピロール-5-イル]-1H-インドール
2-{2-[(3,5-ジメチル-1H-ピロール-2-イル)メチリデン]-3-メトキシ-2H-ピロール-5-イル}-1H-インドール
2-{2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-2H-pyrrol-5-yl}-1H-indole
Other name (3):
2-[2-[(3,5-Dimethyl-2-pyrrolyl)methylene]-3-methoxy-2H-pyrrole-5-yl]-1H-indole
オバトクラックス
Obatoclax
CAS registry number:
803712-67-6
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