Chem
J-GLOBAL ID:200907018979492363
Nikkaji number:J444.097H
Benexate
ベネキサート
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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:
C23 H27 N3 O4
Molecular formula furigana:
C23-H27-N3-O4
Molecular weight:
409.486
InChI:
InChI=1S/C23H27N3O4/c24-23(25)26-14-16-10-12-18(13-11-16)21(27)30-20-9-5-4-8-19(20)22(28)29-15-17-6-2-1-3-7-17/h1-9,16,18H,10-15H2,(H4,24,25,26)/t16-,18-
InChI key:
IAXUQWSLRKIRFR-SAABIXHNSA-N
SMILES:
NC(=N)NC[C@H]1CC[C@@H](CC1)C(=O)Oc1ccccc1C(=O)OCc1ccccc1
Systematic name (9):
4α-(グアニジノメチル)-1β-シクロヘキサンカルボン酸2-(ベンジルオキシカルボニル)フェニル
4β-(グアニジノメチル)-1α-シクロヘキサンカルボン酸[2-(ベンジルオキシカルボニル)フェニル]
2-[[[4α-(グアニジノメチル)シクロヘキサン-1β-イル]カルボニル]オキシ]安息香酸フェニルメチル
2-[[[4β-[[(アミノイミノメチル)アミノ]メチル]シクロヘキサン-1α-イル]カルボニル]オキシ]安息香酸ベンジル
2-[[[4α-[[(アミノイミノメチル)アミノ]メチル]シクロヘキサン-1β-イル]カルボニル]オキシ]安息香酸ベンジル
4α-(グアニジノメチル)-1β-シクロヘキサンカルボン酸o-(ベンジルオキシカルボニル)フェニル
4β-(グアニジノメチル)-1α-シクロヘキサンカルボン酸o-(ベンジルオキシカルボニル)フェニル
ベンジル 2-[(1r,4r)-4-(カルバムイミドアミドメチル)シクロヘキサンカルボニルオキシ]ベンゾアート
benzyl 2-[(1r,4r)-4-(carbamimidamidomethyl)cyclohexanecarbonyloxy]benzoate
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Other name (11):
ベネキサート
Benexate
4β-(Guanidinomethyl)-1α-cyclohexanecarboxylic acid o-(benzyloxycarbonyl)phenyl ester
4α-(Guanidinomethyl)-1β-cyclohexanecarboxylic acid o-(benzyloxycarbonyl)phenyl ester
4β* -(グアニジノメチル)-1α* -シクロヘキサンカルボン酸o-(ベンジルオキシカルボニル)フェニル
4α-(Guanidinomethyl)-1β-cyclohexanecarboxylic acid 2-(benzyloxycarbonyl)phenyl ester
4β-(Guanidinomethyl)-1α-cyclohexanecarboxylic acid [2-(benzyloxycarbonyl)phenyl] ester
2-[[[4α-(Guanidinomethyl)cyclohexane-1β-yl]carbonyl]oxy]benzoic acid phenylmethyl ester
2-[[[4β-[[(Aminoiminomethyl)amino]methyl]cyclohexane-1α-yl]carbonyl]oxy]benzoic acid benzyl ester
2-[[[4α-[[(Aminoiminomethyl)amino]methyl]cyclohexane-1β-yl]carbonyl]oxy]benzoic acid benzyl ester
4β* -(Guanidinomethyl)-1α* -cyclohexanecarboxylic acid o-(benzyloxycarbonyl)phenyl] ester
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CAS registry number:
78718-52-2
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