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Substance Name: WS 009A
RN: 136286-49-2
InChIKey: QJBRZZUZDREZIP-KCBNJNFFSA-N

Note

  • Endothelin receptor antagonist; from Streptomyces sp. No. 89009.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H25-N-O10-S

Molecular Weight

  • 519.524
 
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Names and Synonyms

Name of Substance

  • WS 009A

Synonyms

  • FR 901366
  • WS009 A

Systematic Name

  • L-Cysteine, N-acetyl-S-(4,4a,5,6,7,12,12a,12b-octahydro-4a,8,12a,12b-tetrahydroxy-3-methyl-1,7,12-trioxobenz(a)anthracen-6a(1H)-yl)-

Registry Numbers

CAS Registry Number

  • 136286-49-2

System Generated Number

  • 0136286492

Structure Descriptors

InChI

1S/C24H25NO10S/c1-11-8-16(28)23(34)21(33,9-11)6-7-22(36-10-14(20(31)32)25-12(2)26)19(30)17-13(4-3-5-15(17)27)18(29)24(22,23)35/h3-5,8,14,27,33-35H,6-7,9-10H2,1-2H3,(H,25,26)(H,31,32)/t14-,21?,22?,23?,24?/m0/s1

InChIKey

QJBRZZUZDREZIP-KCBNJNFFSA-N

Smiles

C([C@@H](NC(=O)C)CS[C@@]12CC[C@@]3([C@@]([C@@]2(C(c2cccc(c2C1=O)O)=O)O)(C(C=C(C3)C)=O)O)O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 300mg/kg (300mg/kg)   Journal of Antibiotics. Vol. 45, Pg. 1029, 1992.