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Substance Name: Cinodine I
RN: 60830-76-4
UNII: G7J2ZAY23K
InChIKey: DNVZVPOGAWMZMI-FWDCAGJFSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C37-H59-N13-O13

Molecular Weight

  • 893.9511
 
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Names and Synonyms

Name of Substance

  • Cinodine I

Synonyms

  • Antibiotic BM 123(sub gamma 1)
  • BM-123-G''1
  • BRN 1677532
  • LL-BM 123 (sub gamma 1)
  • LL-BM-123-C1
  • UNII-G7J2ZAY23K

Systematic Name

  • Cinodine I

Registry Numbers

CAS Registry Number

  • 60830-76-4

FDA UNII

  • G7J2ZAY23K

System Generated Number

  • 0060830764

Structure Descriptors

InChI

1S/C37H59N13O13/c1-17-23(29(54)26(45-33(39)40)31(61-17)62-19-8-5-18(6-9-19)7-10-22(52)44-14-4-13-43-12-3-2-11-38)47-36(57)49-30-25(46-34(41)55)28(53)21(16-59-30)63-32-27-24(20(51)15-60-32)48-37(58)50(27)35(42)56/h5-10,17,20-21,23-32,43,51,53-54H,2-4,11-16,38H2,1H3,(H2,42,56)(H,44,52)(H,48,58)(H4,39,40,45)(H3,41,46,55)(H2,47,49,57)/b10-7+/t17-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30+,31-,32+/m1/s1

InChIKey

DNVZVPOGAWMZMI-FWDCAGJFSA-N

Smiles

C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)Oc2ccc(cc2)/C=C/C(=O)NCCCNCCCCN)NC(=N)N)O)NC(=O)N[C@@H]3[C@@H]([C@H]([C@@H](CO3)O[C@H]4[C@H]5[C@H]([C@@H](CO4)O)NC(=O)N5C(=O)N)O)NC(=O)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 88mg/kg (88mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 1, Pg. 403, 1980.