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Substance Name: 2H-1,4-Benzothiazine-3-carboxylic acid, 3,4-dihydro-6-((2-amino-2-carboxyethyl)thio)-7-(2-aminoethyl)-5-hydroxy-, (R-(R*,R*))-
RN: 153881-26-6
InChIKey: GQEGNWALNHSACE-YUMQZZPRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H19-N3-O5-S2

Molecular Weight

  • 373.4521
 
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Names and Synonyms

  • 2H-1,4-Benzothiazine-3-carboxylic acid, 3,4-dihydro-6-((2-amino-2-carboxyethyl)thio)-7-(2-aminoethyl)-5-hydroxy-, (R-(R*,R*))-

Registry Numbers

CAS Registry Number

  • 153881-26-6

System Generated Number

  • 0153881266

Structure Descriptors

InChI

1S/C14H19N3O5S2/c15-2-1-6-3-9-10(17-8(5-23-9)14(21)22)11(18)12(6)24-4-7(16)13(19)20/h3,7-8,17-18H,1-2,4-5,15-16H2,(H,19,20)(H,21,22)/t7-,8-/m0/s1

InChIKey

GQEGNWALNHSACE-YUMQZZPRSA-N

Smiles

c1c(c(c(c2c1SC[C@H](N2)C(=O)O)O)SC[C@@H](C(=O)O)N)CCN

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intracrebral 680ug/kg (0.68mg/kg)   Journal of Medicinal Chemistry. Vol. 37, Pg. 1084, 1994.