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Substance Name: A-130A
RN: 51257-84-2
InChIKey: LQFPDTISEHAMNQ-JRSQRZRGSA-N

Note

  • Polycyclic, polyether cpd belonging to nigericin group of antibiotics produced by Streptomyces hygroscopicus strain.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C47-H78-O13

Molecular Weight

  • 851.12
 
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Names and Synonyms

Name of Substance

  • A-130A

Synonyms

  • Antibiotic A 130A
  • Antibiotic Ro 21 6150
  • Lenoremycin

Systematic Names

  • (11(2R,5S,6R),12R)-10-Demethyl-19-de((tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl)oxy)-12-methyl-11-O-(tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl)dianemycin
  • Dianemycin, 10-demethyl-19-de((tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl)oxy)-12-methyl-11-O-(tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl)-, (11R(2R,5S,6R),12R)

Registry Numbers

CAS Registry Number

  • 51257-84-2

Related Registry Number

  • 58399-44-3 (mono-hydrochloride salt)

System Generated Number

  • 0051257842

Structure Descriptors

InChI

1S/C47H78O13/c1-25(19-26(2)41(49)27(3)20-29(5)43(50)51)36-23-37(55-40-16-14-35(53-12)34(10)54-40)33(9)46(56-36)18-17-44(11,60-46)39-15-13-30(6)47(58-39)32(8)22-38(57-47)42-28(4)21-31(7)45(52,24-48)59-42/h19,25,27-40,42,48,52H,13-18,20-24H2,1-12H3,(H,50,51)/b26-19+/t25-,27+,28-,29-,30+,31+,32-,33+,34+,35-,36-,37+,38+,39+,40-,42-,44-,45-,46+,47+/m0/s1

InChIKey

LQFPDTISEHAMNQ-JRSQRZRGSA-N

Smiles

O1[C@]2([C@@H](CC[C@@H]1[C@@]1(CC[C@@]3(O1)[C@H](C)[C@@H](C[C@H](O3)[C@H](\C=C(\C([C@@H](C[C@H](C)C(=O)O)C)=O)C)C)O[C@H]1CC[C@@H]([C@H](O1)C)OC)C)C)[C@H](C[C@@H](O2)[C@@H]1[C@H](C[C@H]([C@](O1)(O)CO)C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2520ug/kg (2.52mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 5, Pg. 500, 1981.
mouse LD50 oral 55mg/kg (55mg/kg)   "Kirk-Othmer Encyclopedia of Chemical Technology," 3rd ed., Grayson, M., and D. Eckroth, eds. New York, John Wiley & Sons, Inc., 1978Vol. 3, Pg. 47, 1978.
mouse LD50 subcutaneous 34300ug/kg (34.3mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 5, Pg. 500, 1981.