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Substance Name: Helvecardin A
RN: 119979-33-8
InChIKey: ZVRVZYXIMVTOQM-ZUQUPIACSA-N

Note

  • Isolated from Pseudonocardia compacta subsp. helvetica.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C90-H103-Cl2-N9-O36

Molecular Weight

  • 1957.74
 
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Names and Synonyms

Name of Substance

  • Helvecardin A

Synonym

  • Helvecardin A

Systematic Names

  • Avoparcin alpha, 49-chloro-2(sup C)-O-methyl-
  • Avoparcin alpha, 49-chloro-2C-O-methyl-

Registry Numbers

CAS Registry Number

  • 119979-33-8

System Generated Number

  • 0119979338

Structure Descriptors

InChI

1S/C90H103Cl2N9O36/c1-31-67(108)47(93)27-57(126-31)134-77-38-12-19-52(46(92)22-38)131-54-24-39-23-53(78(54)137-90-80(74(115)71(112)56(30-103)133-90)135-58-28-48(94)68(109)32(2)127-58)129-41-15-8-35(9-16-41)76(136-88-75(116)72(113)70(111)55(29-102)132-88)65(100-81(117)60(95-4)34-6-13-42(14-7-34)130-89-79(125-5)73(114)69(110)33(3)128-89)85(121)97-62(37-11-18-50(106)45(91)21-37)82(118)98-63(39)84(120)96-61-36-10-17-49(105)43(20-36)59-44(25-40(104)26-51(59)107)64(87(123)124)99-86(122)66(77)101-83(61)119/h6-26,31-33,47-48,55-58,60-77,79-80,88-90,95,102-116H,27-30,93-94H2,1-5H3,(H,96,120)(H,97,121)(H,98,118)(H,99,122)(H,100,117)(H,101,119)(H,123,124)/t31-,32-,33?,47-,48-,55?,56+,57-,58-,60?,61+,62?,63+,64-,65+,66-,67-,68-,69?,70?,71+,72?,73?,74?,75?,76+,77+,79?,80+,88?,89?,90-/m0/s1

InChIKey

ZVRVZYXIMVTOQM-ZUQUPIACSA-N

Smiles

O1[C@@H]([C@@H]([C@@H]([C@@H]([C@@H]1Oc1ccc(cc1)[C@@H](C(N[C@H]1C(=O)N[C@@H](C(=O)N[C@@H]2c3cc(c(c(c3)Oc3ccc(cc3Cl)[C@@H](O[C@@H]3O[C@H]([C@@H]([C@H](C3)N)O)C)[C@@H]3NC(=O)[C@H](NC2=O)c2ccc(O)c(c4c(cc(cc4O)O)[C@@H](C(O)=O)NC3=O)c2)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@H](N)C2)O)O)CO)Oc2ccc(cc2)[C@H]1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)c1cc(c(cc1)O)Cl)=O)NC)OC)O)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous > 500mg/kg (500mg/kg)   Journal of Antibiotics. Vol. 44, Pg. 278, 1991.