Chem
J-GLOBAL ID:200907025068003264   Nikkaji number:J85.216C

[(1α,4β)-4-[3-(2-Chloroethyl)-3-nitrosoureido]cyclohexyl]acetic acid methyl ester

[(1α,4β)-4-[3-(2-クロロエチル)-3-ニトロソウレイド]シクロヘキシル]酢酸メチル
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: C12H20ClN3O4
Molecular formula furigana: C12-H20-CL-N3-O4
Molecular weight: 305.760
InChI: InChI=1S/C12H20ClN3O4/c1-20-11(17)8-9-2-4-10(5-3-9)14-12(18)16(15-19)7-6-13/h9-10H,2-8H2,1H3,(H,14,18)/t9-,10-
InChI key: BZJWKDDDBFYDMZ-MGCOHNPYSA-N
SMILES: COC(=O)C[C@H]1CC[C@@H](CC1)NC(=O)N(CCCl)N=O
Systematic name  (3):
  • [(1α,4β)-4-[3-(2-クロロエチル)-3-ニトロソウレイド]シクロヘキシル]酢酸メチル
  • メチル 2-[(1r,4r)-4-{[N-(2-クロロエチル)-N'-オキソヒドラジンカルボニル]アミノ}シクロヘキシル]アセタート
  • methyl 2-[(1r,4r)-4-{[N-(2-chloroethyl)-N'-oxohydrazinecarbonyl]amino}cyclohexyl]acetate
Other name (1):
  • [(1α,4β)-4-[3-(2-Chloroethyl)-3-nitrosoureido]cyclohexyl]acetic acid methyl ester
CAS registry number: 61137-49-3
Regulation number (1):
  • AF9190000
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