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Substance Name: Cinodine hydrochloride [USAN]
RN: 68782-58-1
UNII: TSS78NQ74G
InChIKey: RQOZAAMYXJZOBF-KCPRPGGYSA-N

Note

  • Glycocinnamoylspermidine antibiotic; gyrase inhibitor found in Nocardia.

Classification Code

  • Antibacterial (Veterinary)

Molecular Formula

  • C37-H59-N13-O13.Cl-H

Molecular Weight

  • 1789.8704
 
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Names and Synonyms

Name of Substance

  • Cinodine hydrochloride [USAN]

Synonyms

  • (E)-N-(3-((4-Aminobutyl)amino)propyl)-p-((4-(3-(4-O-(2,3-(1-carbamoylureylene)-2,3-dideoxy-beta-D-xylopyranosyl)-2-deoxy-2-ureido-alpha-D-xylopyranosyl)ureido)-2,4,6-trideoxy-2-guanidino-alpha-D-glucopyranosyl)oxy)cinnamamide hydrochloride mixture with (E)-N-(3-(4-aminobutyl)amino)propyl)-p-((4-(3-(4-O-(3-(carboxyamino)-2,3-dideoxy-2-ureido-beta-D-xylopyranosyl)-2-deoxy-2-ureido-alpha-D-xylopyranosyl)ureido)-2,4,6-trideoxy-2-guanidino-alpha-D-glucopyranosyl)oxy)cinnamamide intramolecular 3''',4'''-ester hydrochloride
  • 2-Propenamide, N-(3-((4-aminobutyl)amino)-propyl)-3-(4-((4-((((2-((aminocarbonyl)amino)-4-O-(2-((aminocarbonyl)amino)-2(sup 1),3(sup 2)-anhydro-3-(carboxyamino)-2,3-dideoxy-beta-D-xylopyranosyl)-2-deoxy-alpha-D-xylopyranosyl)amino)carbonyl)amino)-2-((aminoiminomethyl)amino)-2,4,6-trideoxy-alpha-D-glucopyranosyl)oxy)phenyl)-, hydrochloride, (E)-, mixture with (E)-N-(3-((4-aminobutyl)amino)propyl)-3-(4-((4-((((2-((aminocarbonyl)amino)-4-O-(2-((aminocarbonyl)amino)-3(sup 2),4-anhydro-3-(carboxyamino)-2,3-dideoxy-beta-D-xylopyranosyl)-2-deoxy-alpha-D-xylopyranosyl)amino)carbonyl)amino)-2-((aminoiminomethyl)amino)-2,4,6-trideoxy-alpha-D-glucopyranosyl)oxy)phenyl)-2-propenamide hydrochloride
  • Antibiotic BM 123gamma hydrochloride
  • Cinodine HCl
  • Cinodine hydrochloride
  • CL 98984
  • UNII-TSS78NQ74G

Registry Numbers

CAS Registry Number

  • 68782-58-1

FDA UNII

  • TSS78NQ74G

System Generated Number

  • 0068782581

Molecular Formulas

Molecular Formula

  • C37-H59-N13-O13.Cl-H

Molecular Formula Fragments

  • C37-H59-N13-O13
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/2C37H58N12O14/c1-17-29(28(53)25(45-33(39)40)31(60-17)61-19-8-5-18(6-9-19)7-10-22(51)44-14-4-13-43-12-3-2-11-38)63-37(57)48-30-24(46-34(41)54)27(52)21(16-58-30)62-32-26-23(20(50)15-59-32)47-36(56)49(26)35(42)55;1-17-29(28(52)26(45-33(39)40)32(59-17)60-19-8-5-18(6-9-19)7-10-22(50)44-14-4-13-43-12-3-2-11-38)63-37(56)49-30-25(47-35(42)54)27(51)21(16-57-30)61-31-24(46-34(41)53)23-20(15-58-31)62-36(55)48-23/h5-10,17,20-21,23-32,43,50,52-53H,2-4,11-16,38H2,1H3,(H2,42,55)(H,44,51)(H,47,56)(H,48,57)(H4,39,40,45)(H3,41,46,54);5-10,17,20-21,23-32,43,51-52H,2-4,11-16,38H2,1H3,(H,44,50)(H,48,55)(H,49,56)(H4,39,40,45)(H3,41,46,53)(H3,42,47,54)/b2*10-7+/t17-,20-,21-,23+,24-,25-,26-,27+,28-,29-,30+,31-,32+;17-,20-,21-,23+,24-,25-,26-,27+,28-,29-,30+,31+,32-/m11/s1

InChIKey

RQOZAAMYXJZOBF-KCPRPGGYSA-N

Smiles

[H]/N=C(\N)/N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1Oc2ccc(cc2)/C=C/C(=O)NCCCNCCCCN)C)OC(=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)O.[H]/N=C(\N)/N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1Oc2ccc(cc2)/C=C/C(=O)NCCCNCCCCN)C)OC(=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)O