Benzamide, N-[7-[[3-O-(aminocarbonyl)-6-deoxy-5-C-methyl-4-O-methyl-α-L-lyxo-hexopyranosyl]oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl]-4-hydroxy-3-(3-methyl-2-buten-1-yl)-, calcium salt (2:1)
CAS Registry Number®
4309-70-0
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CAS Name
Benzamide, N-[7-[[3-O-(aminocarbonyl)-6-deoxy-5-C-methyl-4-O-methyl-α-L-lyxo-hexopyranosyl]oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl]-4-hydroxy-3-(3-methyl-2-buten-1-yl)-, calcium salt (2:1)Molecular Formula
C31H36N2O11.1/2CaCite this Page
Benzamide, N-[7-[[3-O-(aminocarbonyl)-6-deoxy-5-C-methyl-4-O-methyl-α-L-lyxo-hexopyranosyl]oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl]-4-hydroxy-3-(3-methyl-2-buten-1-yl)-, calcium salt (2:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=4309-70-0 (retrieved ) (CAS RN: 4309-70-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C31H36N2O11.Ca/c1-14(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;/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37);/t23-,25+,26-,29-;/m1./s1
InChIKey
InChIKey=GHIHBMHDPGFUKL-RNROJPEYSA-N
SMILES
CC1=C2C(C(O)=C(NC(=O)C3=CC(CC=C(C)C)=C(O)C=C3)C(=O)O2)=CC=C1O[C@H]4[C@H](O)[C@H](OC(N)=O)[C@@H](OC)C(C)(C)O4.[Ca]
Canonical SMILES
[Ca].O=C(OC1C(O)C(OC=2C=CC=3C(O)=C(NC(=O)C4=CC=C(O)C(=C4)CC=C(C)C)C(=O)OC3C2C)OC(C)(C)C1OC)N
Other Names for this Substance
- Benzamide, N-[7-[[3-O-(aminocarbonyl)-6-deoxy-5-C-methyl-4-O-methyl-α-L-lyxo-hexopyranosyl]oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl]-4-hydroxy-3-(3-methyl-2-buten-1-yl)-, calcium salt (2:1)
- Novobiocin, calcium salt (2:1)
- Benzamide, N-[7-[[3-O-(aminocarbonyl)-6-deoxy-5-C-methyl-4-O-methyl-α-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, Ca deriv.
- Novobiocin, calcium salt
Deleted or Replaced CAS Registry Numbers
10213-90-8
