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Substance Name: 1,3-Benzenedicarboxylic acid, 5-(2-amino-4-(methoxycarbonyl)phenoxy)-, dimethyl ester
RN: 100596-38-1
InChIKey: XPNBOEYBQIADSG-UHFFFAOYSA-N

Molecular Formula

  • C18-H17-N-O7

Molecular Weight

  • 359.3323
 
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Names and Synonyms

Synonym

  • Dimethyl 5-(2-amino-4-(methoxycarbonyl)phenoxy)-1,3-benzenedicarboxylate

Systematic Name

  • 1,3-Benzenedicarboxylic acid, 5-(2-amino-4-(methoxycarbonyl)phenoxy)-, dimethyl ester

Registry Numbers

CAS Registry Number

  • 100596-38-1

System Generated Number

  • 0100596381

Structure Descriptors

InChI

1S/C18H17NO7/c1-23-16(20)10-4-5-15(14(19)9-10)26-13-7-11(17(21)24-2)6-12(8-13)18(22)25-3/h4-9H,19H2,1-3H3

InChIKey

XPNBOEYBQIADSG-UHFFFAOYSA-N

Smiles

COC(=O)c1ccc(c(c1)N)Oc2cc(cc(c2)C(=O)OC)C(=O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal > 5gm/kg (5000mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 79, 1986.
rat LD50 oral > 10gm/kg (10000mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 79, 1986.