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Substance Name: Malonic acid, acetamido(7-amino-3-indolylmethyl)-, diethyl ester
RN: 73747-60-1
InChIKey: HOHOQUCSQCEFBU-UHFFFAOYSA-N

Molecular Formula

  • C18-H23-N3-O5

Molecular Weight

  • 361.396
 
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Names and Synonyms

Synonyms

  • 2-Acetamido-2-(7-amino-3-indolylmethyl)malonic acid diethyl ester
  • 5-22-14-00227 (Beilstein Handbook Reference)
  • BRN 0452758
  • Diethyl acetamido(7-amino-indol-3-ylmethyl)malonate
  • Malonic acid, acetamido(7-amino-3-indolylmethyl)-, diethyl ester
  • NSC 77008

Systematic Names

  • Malonic acid, acetamido(7-amino-3-indolylmethyl)-, diethyl ester
  • Propanedioic acid, (acetylamino)((7-amino-1H-indol-3-yl)methyl)-, diethyl ester (9CI)

Registry Numbers

CAS Registry Number

  • 73747-60-1

System Generated Number

  • 0073747601

Structure Descriptors

InChI

1S/C18H23N3O5/c1-3-25-17(23)16(18(24)26-4-2)21-14(22)9-8-11-10-20-15-12(11)6-5-7-13(15)19/h5-7,10,16,20H,3-4,8-9,19H2,1-2H3,(H,21,22)

InChIKey

HOHOQUCSQCEFBU-UHFFFAOYSA-N

Smiles

c12c([nH]cc1CCC(NC(C(OCC)=O)C(OCC)=O)=O)c(ccc2)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 316mg/kg (316mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00929,