Chem
J-GLOBAL ID:200907028315390410   Nikkaji number:J391.069E

Candoxatril

カンドキサトリル
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: C29H41NO7
Molecular formula furigana: C29-H41-N-O7
Molecular weight: 515.647
InChI: InChI=1S/C29H41NO7/c1-35-15-16-36-19-23(27(33)37-25-12-9-20-5-4-6-22(20)17-25)18-29(13-2-3-14-29)28(34)30-24-10-7-21(8-11-24)26(31)32/h9,12,17,21,23-24H,2-8,10-11,13-16,18-19H2,1H3,(H,30,34)(H,31,32)/t21-,23-,24+/m0/s1
InChI key: ZTWZVMIYIIVABD-OEMFJLHTSA-N
SMILES: COCCOC[C@H](CC1(CCCC1)C(=O)N[C@H]1CC[C@H](CC1)C(=O)O)C(=O)Oc1ccc2CCCc2c1
Systematic name  (3):
  • 4α-[[1-[(S)-2-(インダン-5-イルオキシカルボニル)-3-(2-メトキシエトキシ)プロピル]シクロペンタン-1-イル]カルボニルアミノ]シクロヘキサン-1α-カルボン酸
  • (1s,4s)-4-{1-[(2S)-3-(2,3-ジヒドロ-1H-インデン-5-イルオキシ)-2-[(2-メトキシエトキシ)メチル]-3-オキソプロピル]シクロペンタネアミド}シクロヘキサン-1-カルボン酸
  • (1s,4s)-4-{1-[(2S)-3-(2,3-dihydro-1H-inden-5-yloxy)-2-[(2-methoxyethoxy)methyl]-3-oxopropyl]cyclopentaneamido}cyclohexane-1-carboxylic acid
Other name (4):
  • UK-79300
  • カンドキサトリル
  • Candoxatril
  • 4α-[[1-[(S)-2-(Indan-5-yloxycarbonyl)-3-(2-methoxyethoxy)propyl]cyclopentan-1-yl]carbonylamino]cyclohexane-1α-carboxylic acid
CAS registry number: 123122-55-4
KEGG DRUG: D01070
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