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Substance Name: Cinodine II hydrochloride
RN: 68681-93-6
UNII: KGJ2ICY09M
InChIKey: QBDMTLDJLHPTCX-ZTSWYXKUSA-N

Molecular Formula

  • C37-H59-N13-O13.3Cl-H

Molecular Weight

  • 1003.3338
 
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Names and Synonyms

Name of Substance

  • Cinodine II hydrochloride

Synonyms

  • Antibiotic BM-123gamma2 hydrochloride
  • Cinodine gamma(sub 2)hydrochloride
  • Cinodine II hydrochloride
  • UNII-KGJ2ICY09M

Registry Numbers

CAS Registry Number

  • 68681-93-6

FDA UNII

  • KGJ2ICY09M

System Generated Number

  • 0068681936

Structure Descriptors

InChI

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

InChIKey

QBDMTLDJLHPTCX-ZTSWYXKUSA-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]([C@@H]5[C@@H](CO4)OC(=O)N5)NC(=O)N)O)NC(=O)N.Cl.Cl.Cl