Chem
J-GLOBAL ID：200907038876362705
Nikkaji number：J2.033.209C
Methylcarbamic acid [(3aS)-1,2,3,3a,8,8aα-hexahydro-3a-(13C)methyl-1,8-dimethylpyrrolo[2,3-b]indole]-5-yl ester
メチルカルバミド酸[(3aS)-1,2,3,3a,8,8aα-ヘキサヒドロ-3a-(13C)メチル-1,8-ジメチルピロロ[2,3-b]インドール]-5-イル
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
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
Molecular formula： C14[13C]H21N3O2
Molecular formula furigana： C15-H21-N3-O2
Molecular weight： 276.344
InChI：
InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15-/m1/s1/i1+1
InChI key：
PIJVFDBKTWXHHD-NOSUPUNKSA-N
SMILES：
CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@]3([13CH3])c2c1
Systematic name (3)：
- メチルカルバミド酸[(3aS)-1,2,3,3a,8,8aα-ヘキサヒドロ-3a-(13C)メチル-1,8-ジメチルピロロ[2,3-b]インドール]-5-イル
- (3aS,8aR)-3a-(13C)メチル-1,8-ジメチル-1H,2H,3H,3aH,8H,8aH-ピロロ[2,3-b]インドール-5-イル N-メチルカルバマート
- (3aS,8aR)-3a-(13C)methyl-1,8-dimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-5-yl N-methylcarbamate
- Methylcarbamic acid [(3aS)-1,2,3,3a,8,8aα-hexahydro-3a-(13C)methyl-1,8-dimethylpyrrolo[2,3-b]indole]-5-yl ester
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