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Substance Name: Cefilavancin [INN]
RN: 722454-12-8
UNII: F76229E21M
InChIKey: OGUAFUAJSPORAH-KHCCTVBNSA-N

Molecular Formula

  • C87-H95-Cl3-N16-O28-S2

Molecular Weight

  • 1983.2825
 
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Names and Synonyms

Results Name

  • Cefilavancin [INN]

Name of Substance

  • Cefilavancin

Synonyms

  • Cefilavancin
  • Cefilavancin [INN]
  • TD-1792
  • UNII-F76229E21M
  • Vancomycin, 26-(((3-(((Z)-(1-(2-amino-5-chloro-4-thiazolyl)-2-(((6R,7R)-2-carboxy-8-oxo-3-(pyridiniomethyl)-5-thia-1-azabicyclo(4.2.0)oct-2-en-7-yl)amino)-2-oxoethylidene)amino)oxy)propyl)amino)carbonyl)-26-decarboxy-

Registry Numbers

CAS Registry Number

  • 722454-12-8

FDA UNII

  • F76229E21M

System Generated Number

  • 0722454128

Structure Descriptors

InChI

1S/C87H95Cl3N16O28S2/c1-33(2)20-45(94-5)74(117)100-62-66(112)36-11-14-49(43(88)22-36)130-51-24-38-25-52(70(51)134-85-71(69(115)68(114)53(31-107)132-85)133-55-29-87(4,93)72(116)34(3)129-55)131-50-15-12-37(23-44(50)89)67(113)63-81(124)99-59(42-26-40(108)27-48(110)56(42)41-21-35(10-13-47(41)109)57(77(120)101-63)98-78(121)58(38)97-75(118)46(28-54(91)111)96-80(62)123)76(119)95-16-9-19-128-104-61(60-73(90)136-86(92)103-60)79(122)102-64-82(125)106-65(84(126)127)39(32-135-83(64)106)30-105-17-7-6-8-18-105/h6-8,10-15,17-18,21-27,33-34,45-46,53,55,57-59,62-64,66-69,71-72,83,85,94,107,112-116H,9,16,19-20,28-32,93H2,1-5H3,(H15-,91,92,95,96,97,98,99,100,101,102,103,104,108,109,110,111,117,118,119,120,121,122,123,124,126,127)/t34-,45+,46-,53+,55-,57+,58+,59-,62+,63-,64+,66+,67+,68+,69-,71+,72+,83+,85-,87-/m0/s1

InChIKey

OGUAFUAJSPORAH-KHCCTVBNSA-N

Smiles

C[C@H]1[C@H]([C@@](C[C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2Oc3c4cc5cc3Oc6ccc(cc6Cl)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]7c8ccc(c(c8)-c9c(cc(cc9O)O)[C@H](NC(=O)[C@H]([C@@H](c1ccc(c(c1)Cl)O4)O)NC7=O)C(=O)NCCCO/N=C(/c1c(sc(n1)N)Cl)\C(=O)N[C@H]1[C@@H]2N(C1=O)C(=C(CS2)C[n+]1ccccc1)C(=O)[O-])O)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)CO)O)O)(C)N)O