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Substance Name: Ristocetin B
RN: 1405-59-0
UNII: 377SGF21W3
InChIKey: YECWLNHQVUKZLG-LHYOAFRFSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C84-H92-N8-O35

Molecular Weight

  • 1773.6718
 
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Names and Synonyms

Name of Substance

  • Ristocetin B

Synonyms

  • AI3-50141
  • Ristocetin B
  • UNII-377SGF21W3

Systematic Names

  • Ristocetin B
  • Ristomycin A, 2C-O-de(O-beta-D-arabinopyranosyl-(1->2)-O-alpha-D-mannopyranosyl-(1->2))-

Registry Numbers

CAS Registry Number

  • 1405-59-0

FDA UNII

  • 377SGF21W3

System Generated Number

  • 0001405590

Structure Descriptors

InChI

1S/C84H92N8O35/c1-28-45(97)18-35-20-46(28)122-47-19-33(9-16-44(47)96)55(86)75(109)91-60-64(100)31-5-11-38(12-6-31)120-49-21-36-22-50(74(49)127-84-72(108)69(105)66(102)52(125-84)27-117-82-70(106)67(103)63(99)30(3)119-82)121-39-13-7-32(8-14-39)73(126-53-25-42(85)62(98)29(2)118-53)61-80(114)90-59(81(115)116-4)41-23-37(94)24-48(123-83-71(107)68(104)65(101)51(26-93)124-83)54(41)40-17-34(10-15-43(40)95)56(76(110)92-61)87-78(112)58(36)88-77(111)57(35)89-79(60)113/h5-24,29-30,42,51-53,55-73,82-84,93-108H,25-27,85-86H2,1-4H3,(H,87,112)(H,88,111)(H,89,113)(H,90,114)(H,91,109)(H,92,110)/t29-,30-,42+,51+,52+,53-,55+,56+,57-,58+,59-,60+,61-,62-,63-,64+,65+,66+,67+,68-,69-,70+,71-,72+,73+,82+,83+,84-/m0/s1

InChIKey

YECWLNHQVUKZLG-LHYOAFRFSA-N

Smiles

Cc1c(cc2cc1Oc3cc(ccc3O)[C@H](C(=O)N[C@@H]4[C@@H](c5ccc(cc5)Oc6cc7cc(c6O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)O)O)O)Oc1ccc(cc1)[C@H]([C@H]1C(=O)N[C@@H](c3cc(cc(c3-c3cc(ccc3O)[C@H](C(=O)N1)NC(=O)[C@@H]7NC(=O)[C@H]2NC4=O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C(=O)OC)O[C@H]1C[C@H]([C@H]([C@@H](O1)C)O)N)O)N)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 645mg/kg (645mg/kg)   "Index of Antibiotics from Actinomycetes," Umezawa, H. et al., eds., Tokyo, Univ. of Tokyo Press, 1967Vol. -, Pg. 569, 1967.