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Substance Name: Tuberactinomycin
RN: 11075-36-8
UNII: 85B3A97YJY
InChIKey: NLFFJIIRAGZISV-LKMNLCDCSA-N

Classification Code

  • Natural Product

Molecular Weight

  • 2073.0861
 
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Names and Synonyms

Name of Substance

  • Tuberactinomycin

Synonyms

  • Tuberactin
  • Tuberactinomycin
  • UNII-85B3A97YJY

Systematic Name

  • Tuberactinomycin

Registry Numbers

CAS Registry Number

  • 11075-36-8

FDA UNII

  • 85B3A97YJY

Other Registry Numbers

  • 11075-68-6
  • 12794-13-7

System Generated Number

  • 0011075368

Structure Descriptors

InChI

1S/C25H43N13O11.2C25H43N13O10/c26-2-1-15(41)9(27)3-16(42)32-11-5-30-23(48)18(10-4-17(43)37-24(28)36-10)38-20(45)12(6-31-25(29)49)33-21(46)13(7-39)35-22(47)14(8-40)34-19(11)44;26-3-1-16(41)10(27)5-17(42)33-12-6-31-23(47)18(11-2-4-30-24(28)37-11)38-20(44)13(7-32-25(29)48)34-21(45)14(8-39)36-22(46)15(9-40)35-19(12)43;26-3-1-2-10(27)4-16(41)32-12-6-30-23(47)18(11-5-17(42)37-24(28)36-11)38-20(44)13(7-31-25(29)48)33-21(45)14(8-39)35-22(46)15(9-40)34-19(12)43/h6,9-11,13-15,17-18,39-41,43H,1-5,7-8,26-27H2,(H,30,48)(H,32,42)(H,33,46)(H,34,44)(H,35,47)(H,38,45)(H3,28,36,37)(H3,29,31,49);7,10-12,14-16,18,39-41H,1-6,8-9,26-27H2,(H,31,47)(H,33,42)(H,34,45)(H,35,43)(H,36,46)(H,38,44)(H3,28,30,37)(H3,29,32,48);7,10-12,14-15,17-18,39-40,42H,1-6,8-9,26-27H2,(H,30,47)(H,32,41)(H,33,45)(H,34,43)(H,35,46)(H,38,44)(H3,28,36,37)(H3,29,31,48)/b12-6-;2*13-7-/t9-,10-,11+,13+,14+,15-,17+,18+;10-,11-,12+,14+,15+,16-,18+;10-,11+,12-,14-,15-,17-,18-/m110/s1

InChIKey

NLFFJIIRAGZISV-LKMNLCDCSA-N

Smiles

NCCC[C@H](N)CC(=O)N[C@H]1CNC(=O)[C@@H](NC(=O)\C(=C\NC(=O)N)\NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O)[C@H]2C[C@H](O)NC(=N)N2.NCC[C@@H](O)[C@H](N)CC(=O)N[C@H]3CNC(=O)[C@@H](NC(=O)\C(=C\NC(=O)N)\NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC3=O)[C@H]4CCN=C(N)N4.NCC[C@@H](O)[C@H](N)CC(=O)N[C@H]5CNC(=O)[C@@H](NC(=O)\C(=C\NC(=O)N)\NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC5=O)[C@H]6C[C@H](O)N=C(N)N6

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular > 1600mg/kg (1600mg/kg)   Journal of Antibiotics. Vol. 21, Pg. 681, 1968.
mouse LD50 intravenous 200mg/kg (200mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(1), Pg. 291, 1980.
rat LD50 intramuscular 800mg/kg (800mg/kg)   Journal of Antibiotics. Vol. 21, Pg. 681, 1968.