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Substance Name: Avoparcin alpha, 49-chloro-59-O-de(6-deoxy-alpha-L-mannopyranosyl)-
RN: 110907-15-8
InChIKey: GUHDFCUOWCXCOB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C83-H91-Cl2-N9-O32

Molecular Weight

  • 1797.5689
 
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Names and Synonyms

Synonym

  • 49-Chloro-59-O-de(6-deoxy-alpha-L-mannopyranosyl)avoparcin alpha

Systematic Name

  • Avoparcin alpha, 49-chloro-59-O-de(6-deoxy-alpha-L-mannopyranosyl)-

Registry Numbers

CAS Registry Number

  • 110907-15-8

Other Registry Number

  • 118624-07-0

System Generated Number

  • 0110907158

Structure Descriptors

InChI

1S/C83H91Cl2N9O32/c1-29-64(102)44(86)25-54(117-29)123-72-35-10-17-49(43(85)20-35)120-51-22-36-21-50(73(51)126-83-74(69(107)67(105)53(28-96)122-83)124-55-26-45(87)65(103)30(2)118-55)119-39-13-6-32(7-14-39)71(125-82-70(108)68(106)66(104)52(27-95)121-82)62(93-75(109)57(88-3)31-4-11-37(97)12-5-31)79(113)90-59(34-9-16-47(100)42(84)19-34)76(110)91-60(36)78(112)89-58-33-8-15-46(99)40(18-33)56-41(23-38(98)24-48(56)101)61(81(115)116)92-80(114)63(72)94-77(58)111/h4-24,29-30,44-45,52-55,57-72,74,82-83,88,95-108H,25-28,86-87H2,1-3H3,(H,89,112)(H,90,113)(H,91,110)(H,92,114)(H,93,109)(H,94,111)(H,115,116)

InChIKey

GUHDFCUOWCXCOB-UHFFFAOYSA-N

Smiles

CC1C(C(CC(O1)OC2c3ccc(c(c3)Cl)Oc4cc5cc(c4OC6C(C(C(C(O6)CO)O)O)OC7CC(C(C(O7)C)O)N)Oc8ccc(cc8)C(C(C(=O)NC(C(=O)NC5C(=O)NC9c1ccc(c(c1)-c1c(cc(cc1O)O)C(NC(=O)C2NC9=O)C(=O)O)O)c1ccc(c(c1)Cl)O)NC(=O)C(c1ccc(cc1)O)NC)OC1C(C(C(C(O1)CO)O)O)O)N)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 230mg/kg (230mg/kg)   Journal of Antibiotics. Vol. 40, Pg. 946, 1987.