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Substance Name: Sch 38519
RN: 115016-16-5
InChIKey: PJQXHFQQRQLCDQ-BYSQESQXSA-N

Note

  • Isolated from Thermomonospora.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C24-H25-N-O8.Cl-H

Molecular Weight

  • 491.921
 
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Names and Synonyms

Name of Substance

  • Sch 38519

Synonym

  • Sch 38519

Systematic Names

  • 9,13-Epoxycyclohepta(7,8)naphtho(2,3-d)furo(3,2-b)pyran-2,6,14(9H)-trione, 11-(dimethylamino)-3,3a,5,10,11,12,13,14b-octahydro-7,10-dihydroxy-5,9-dimethyl, hydrochloride, (3aR-(3aalpha,5alpha,9beta,10beta,11alpha,13beta,14balpha))-
  • 9,13-Epoxycyclohepta(7,8)naphtho(2,3-d)furo(3,2-b)pyran-2,6,14(9H)-trione, 3,3a,5,10,11,12,13,14b-octahydro-7,10-dihydroxy-5,9-dimethyl-11-(dimethylamino)-, hydrochloride, (3aR-(3a-alpha,5-alpha,9-beta,10-beta,11-alpha,13-beta,14b-alpha))-

Registry Numbers

CAS Registry Number

  • 115016-16-5

System Generated Number

  • 0115016165

Molecular Formulas

Molecular Formula

  • C24-H25-N-O8.Cl-H

Molecular Formula Fragments

  • C24-H25-N-O8
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C24H25NO8.ClH/c1-8-15-19(22-13(31-8)7-14(27)32-22)21(29)18-16-9(5-11(26)17(18)20(15)28)24(2)23(30)10(25(3)4)6-12(16)33-24;/h5,8,10,12-13,22-23,26,30H,6-7H2,1-4H3;1H/t8-,10+,12+,13-,22+,23-,24+;/m1./s1

InChIKey

PJQXHFQQRQLCDQ-BYSQESQXSA-N

Smiles

C=12[C@@H]3[C@H](O[C@@H](C1C(c1c(cc4c(c1C2=O)[C@@H]1C[C@@H]([C@H]([C@@]4(O1)C)O)N(C)C)O)=O)C)CC(O3)=O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 11mg/kg (11mg/kg)   Journal of Antibiotics. Vol. 42, Pg. 1063, 1989.