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Substance Name: Dethymicin
RN: 146259-43-0
InChIKey: YUHMKCQHJBTRHJ-AWNSINMNSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C71-H126-N2-O21

Molecular Weight

  • 1343.7694
 
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Names and Synonyms

  • Dethymicin

Registry Numbers

CAS Registry Number

  • 146259-43-0

System Generated Number

  • 0146259430

Structure Descriptors

InChI

1S/C71H126N2O21/c1-35(2)28-53-68(90)59(70(92)73(53)16)66(88)40(8)23-27-51(77)32-49(75)25-21-38(6)63(85)44(12)54(79)18-17-19-55(80)45(13)65(87)42(10)29-41(9)62(84)43(11)30-56(81)57(82)33-52(78)34-58(94-71-69(91)60(72)67(89)47(15)93-71)37(5)20-24-48(74)31-50(76)26-22-39(7)64(86)46(14)61(83)36(3)4/h23,28-30,35-39,41,44-52,54-58,60-61,63-65,67,69,71,74-83,85-87,89-91H,17-22,24-27,31-34,72H2,1-16H3/b40-23+,42-29+,43-30+,53-28-

InChIKey

YUHMKCQHJBTRHJ-AWNSINMNSA-N

Smiles

CC(C)\C=C\1/N(C)C(=O)C(=C1O)C(=O)\C(=C\CC(O)CC(O)CCC(C)C(O)C(C)C(O)CCCC(O)C(C)C(O)\C(=C\C(C)C(=O)\C(=C\C(O)C(O)CC(O)CC(OC2OC(C)C(O)C(N)C2O)C(C)CCC(O)CC(O)CCC(C)C(O)C(C)C(O)C(C)C)\C)\C)\C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 400mg/kg (400mg/kg)   Journal of Antibiotics. Vol. 45, Pg. 1819, 1992.