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Substance Name: Novobiocin calcium [USP]
RN: 4309-70-0
UNII: RHW5BU180N
InChIKey: HEJBMFPJLCJWER-CWPVBXIBSA-L

Molecular Formula

  • C31-H36-N2-O11.1/2Ca

Molecular Weight

  • 1263.319
 
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Names and Synonyms

Name of Substance

  • Novobiocin calcium [USP]

Synonyms

  • Albamycin
  • Benzamide, N-(7-((3-O-(aminocarbonyl)-6-deoxy-5-C-methyl-4-O-methyl-beta-L-lyxo-hexopyranosyl)oxy)-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl)-4-hydroxy-3-(3-methyl-2-butenyl)-, calcium salt (2:1)
  • EINECS 224-321-2
  • Novobiocin calcium
  • Novobiocin, calcium salt
  • UNII-RHW5BU180N

Systematic Names

  • Benzamide, N-(7-((3-O-(aminocarbonyl)-6-deoxy-5-C-methyl-4-O-methyl-beta-L-lyxo-hexopyranosyl)oxy)-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl)-4-hydroxy-3-(3-methyl-2-butenyl)-, calcium salt (2:1)
  • Novobiocin calcium

Mixture Name

  • Albamycin Syrup

Registry Numbers

CAS Registry Number

  • 4309-70-0

FDA UNII

  • RHW5BU180N

Other Registry Number

  • 10213-90-8

Related Registry Number

  • 303-81-1 (Parent)

System Generated Number

  • 0004309700

Molecular Formulas

Molecular Formula

  • C31-H36-N2-O11.1/2Ca

Molecular Formula Fragments

  • C31-H36-N2-O11
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/2C31H36N2O11.Ca/c2*1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29;/h2*7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37);/q;;+2/p-2/t2*23-,25+,26-,29-;/m11./s1

InChIKey

HEJBMFPJLCJWER-CWPVBXIBSA-L

Smiles

[Ca+2].CO[C@@H]1[C@@H](OC(=O)N)[C@@H](O)[C@H](Oc2ccc3C(=C(NC(=O)c4ccc(O)c(CC=C(C)C)c4)C(=O)Oc3c2C)[O-])OC1(C)C.CO[C@@H]5[C@@H](OC(=O)N)[C@@H](O)[C@H](Oc6ccc7C(=C(NC(=O)c8ccc(O)c(CC=C(C)C)c8)C(=O)Oc7c6C)[O-])OC5(C)C