Teicoplanin aglycon
CAS Registry Number®
CAS Name
Teicoplanin aglyconMolecular Formula
C58H45Cl2N7O18Molecular Mass
1198.92Cite this Page
Teicoplanin aglycon. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=89139-42-4 (retrieved ) (CAS RN: 89139-42-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C58H45Cl2N7O18/c59-32-9-21-1-7-38(32)84-41-16-26-17-42(51(41)74)85-39-8-4-24(14-33(39)60)50(73)49-57(80)66-48(58(81)82)31-19-28(69)20-37(72)43(31)30-13-23(3-5-35(30)70)45(54(77)67-49)64-56(79)47(26)65-55(78)46-25-11-27(68)18-29(12-25)83-40-15-22(2-6-36(40)71)44(61)53(76)62-34(10-21)52(75)63-46/h1-9,11-20,34,44-50,68-74H,10,61H2,(H,62,76)(H,63,75)(H,64,79)(H,65,78)(H,66,80)(H,67,77)(H,81,82)/t34-,44-,45-,46+,47-,48+,49+,50-/m1/s1
InChIKey
InChIKey=DKVBOUDTNWVDEP-NJCHZNEYSA-N
SMILES
OC1=C2C([C@@H](C(O)=O)NC(=O)[C@@]3([C@H](O)C=4C=C(Cl)C(=CC4)OC=5C=C6[C@](C(=O)N[C@](C=7C=C2C(O)=CC7)(C(=O)N3)[H])(NC(=O)[C@@]8(C=9C=C(OC=%10C=C([C@@H](N)C(=O)N[C@@](C(=O)N8)(CC=%11C=C(Cl)C(OC(=C6)C5O)=CC%11)[H])C=CC%10O)C=C(O)C9)[H])[H])[H])=CC(O)=C1
Canonical SMILES
O=C(O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(NC(=O)C(N)C5=CC=C(O)C(OC6=CC(O)=CC4=C6)=C5)CC7=CC=C(OC=8C=C3C=C(OC9=CC=C(C=C9Cl)C2O)C8O)C(Cl)=C7)C=%10C=CC(O)=C(C%10)C%11=C(O)C=C(O)C=C%111
Other Names for this Substance
- Ristomycin A aglycone, 22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-
- 1H,15H,34H-20,23:30,33-Dietheno-3,18:35,48-bis(iminomethano)-4,8:10,14:25,28:43,47-tetrametheno-28H-[1,14,6,22]dioxadiazacyclooctacosino[4,5-m][10,2,16]benzoxadiazacyclotetracosine, ristomycin A aglycone deriv.
- 22,31-Dichloro-7-demethyl-64-O-demethyl-19-deoxyristomycin A aglycone
- Antibiotic A 41030B
- Teicoplanin aglycone
Deleted or Replaced CAS Registry Numbers
91032-40-5, 746563-43-9
