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Substance Name: Tolypomycin Y
RN: 23412-26-2
InChIKey: RYCBEGMWBUYSAD-SIPZKBGLSA-N

Note

  • Naturally occurring ansamycin antibiotics.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C43-H54-N2-O14

Molecular Weight

  • 822.9
 
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Names and Synonyms

Name of Substance

  • Tolypomycin Y

Synonyms

  • B-2847-Y
  • NSC 177383
  • Tolypomycin Y
  • Tolypromycin Y

Systematic Names

  • 4,6-Epoxy-1,2,3-methanobenzo(d)cycloprop(n)(1,9)oxaazacyclotetracosine-5,18,21,26(6H)-tetrone, 12-(acetyloxy)-10,11,12,13,14,15,16,16a,17,17a,22,25-dodecahydro-2,14,16-trihydroxy-10-methoxy-3,6,11,13,15,20-hexamethyl-25-((tetrahydro-6-hydroxy-2-methyl-2H-pyran-3-yl)imino)-, (6S-(6R*,8E,10R*,11S*,12R*,13S*,14S8,15S*,16R*,16aR*,17aS*,19Z,25(2R*,3S*,6R*)))-
  • L-erythro-Hexopyranose, 2,3,4,6-tetradeoxy-4-((5,6,11,12,13,14,15,16,16a,17,17a,18,21,22-tetradecahydro-2,12,14,16-tetrahydroxy-10-methoxy-3,6,11,13,15,20-hexamethyl-5,18,21,26-tetraoxo-4,6-epoxy-1,23-methanobenzo(d)cycloprop(n)(1,9)oxaazacyclotetracosin-25(10H)-ylidene)amino)-, 12-acetate

Registry Numbers

CAS Registry Number

  • 23412-26-2

System Generated Number

  • 0023412262

Structure Descriptors

InChI

1S/C43H54N2O14/c1-17-14-29(47)24-15-25(24)36(50)19(3)35(49)20(4)39(58-23(7)46)18(2)30(55-9)12-13-56-43(8)41(53)34-32-27(44-26-10-11-31(48)57-22(26)6)16-28(45-42(17)54)38(52)33(32)37(51)21(5)40(34)59-43/h12-14,16,18-20,22,24-26,30-31,35-36,39,48-51H,10-11,15H2,1-9H3,(H,45,54)/b13-12+,17-14-,44-27+/t18-,19+,20-,22+,24-,25+,26-,30-,31+,35-,36-,39-,43+/m1/s1

InChIKey

RYCBEGMWBUYSAD-SIPZKBGLSA-N

Smiles

c12c\3c4C(=O)C(=CC3=N\[C@H]3[C@@H](O[C@@H](CC3)O)C)NC(C(=CC([C@H]3[C@H]([C@H](O)[C@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H](C=CO[C@@](C2=O)(C)Oc1c(c4O)C)OC)C)OC(=O)C)C)O)C)C3)=O)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 330mg/kg (330mg/kg)   Journal of Antibiotics. Vol. 25, Pg. 11, 1972.
mouse LD50 oral 5700mg/kg (5700mg/kg)   Journal of Antibiotics. Vol. 25, Pg. 11, 1972.
mouse LD50 subcutaneous 2200mg/kg (2200mg/kg)   Journal of Antibiotics. Vol. 25, Pg. 11, 1972.