Chemical Compound

Colimecycline

CAS Registry Number 58298-92-3
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Colimecycline chemical structure
Primary Record

Colimecycline

In stock
6,281 g
Purity
99.7 %
CAS
58298-92-3

Compound Identifiers & Properties

CAS
58298-92-3
PubChem CID
76963200
SMILES
CC[C@H](C)CCCCC(=O)N[C@@H](CCNCNC(=O)C1=C([C@H]([C@@H]2[C@H]([C@H]3C(=C([C@@]2(C1=O)O)O)C(=O)C4=C([C@@]3(C)O)C=CC=C4O)O)N(C)C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCNCNC(=O)C5=C([C@H]([C@@H]6[C@H]([C@H]7C(=C([C@@]6(C5=O)O)O)C(=O)C8=C([C@@]7(C)O)C=CC=C8O)O)N(C)C)O)C(=O)N[C@H]9CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC9=O)CCN)CC(C)C)CC(C)C)CCN)CCNCNC(=O)C1=C([C@H]([C@@H]2[C@H]([C@H]3C(=C([C@@]2(C1=O)O)O)C(=O)C1=C([C@@]3(C)O)C=CC=C1O)O)N(C)C)O)[C@@H](C)O
Canonical SMILES
CC[C@H](C)CCCCC(=O)N[C@@H](CCNCNC(=O)C1=C(O)[C@@H](N(C)C)[C@@H]2[C@@H](O)[C@H]3C(=C(O)[C@]2(O)C1=O)C(=O)c1c(O)cccc1[C@@]3(C)O)C(=O)N[C@H](C(=O)N[C@@H](CCNCNC(=O)C1=C(O)[C@@H](N(C)C)[C@@H]2[C@@H](O)[C@H]3C(=C(O)[C@]2(O)C1=O)C(=O)c1c(O)cccc1[C@@]3(C)O)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCNCNC(=O)C2=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]4C(=C(O)[C@]3(O)C2=O)C(=O)c2c(O)cccc2[C@@]4(C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O

Names & Synonyms

  • Colimecycline
  • Colimecyclinum
  • colimeciclina
  • UNII-F8Q3A8BEOB
  • Colimecycline [INN:DCF]
  • F8Q3A8BEOB
  • COLIMECYCLINE [INN]
  • RefChem:127446
  • DTXSID701014463
  • DTXCID001437052
  • 58298-92-3
  • C122H172N22O40
  • C122-H172-N22-O40
  • (4S,4aR,5S,5aR,6S,12aS)-N-[[2-[(3S,6S,9S,12S,15R,18S,21S)-21-[[(2S)-4-[[[(4S,4aR,5S,5aR,6S,12aS)-4-(dimethylamino)-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carbonyl]amino]methylamino]-2-[[(2S,3R)-2-[[(2S)-4-[[[(4S,4aR,5S,5aR,6S,12aS)-4-(dimethylamino)-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carbonyl]amino]methylamino]-2-[[(6S)-6-methyloctanoyl]amino]butanoyl]amino]-3-hydroxybutanoyl]amino]butanoyl]amino]-9,18-bis(2-aminoethyl)-3-[(1R)-1-hydroxyethyl]-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-6-yl]ethylamino]methyl]-4-(dimethylamino)-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide
  • Reaction product of one molecule of colistin with three molecules of oxytetracycline in presence of formaldehyde. N,N',N'-Tris((4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamido)methyl)polymyxin E (nominal)
  • (4S,4aR,5S,5aR,6S,12aS)-N-[({2-[(3S,6S,9S,12S,15R,18S,21S)-9,18-Bis(2-aminoethyl)-21-{[(2S,5S,8S)-2-{2-[({[(4S,4aR,5S,5aR,6S,12aS)-4-(dimethylamino)-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carbonyl]amino}methyl)amino]ethyl}-14-[(4S,4aR,5S,5aR,6S,12aS)-4-(dimethylamino)-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracen-2-yl]-5-[(1R)-1-hydroxyethyl]-8-{[(6S)-6-methyloctanoyl]amino}-4,7,14-trioxo-3,6,11,13-tetraazatetradecanan-1-oyl]amino}-3-[(1R)-1-hydroxyethyl]-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosan-6-yl]ethyl}amino)methyl]-4-(dimethylamino)-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
  • N,N',N''-Tris((4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-di-oxo-2-naphthacenecarboxamido)methyl)polymyxin E (nominal)