CAS Registry Number®
1404-93-9
CAS Name
Vancomycin, hydrochloride
Molecular Formula
C66H75Cl2N9O24.xClH
Other Names and Identifiers
InChI
InChI=1S/C66H75Cl2N9O24.ClH/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92;/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95);1H
InChIKey
InChIKey=LCTORFDMHNKUSG-UHFFFAOYSA-N
SMILES
O(C=1C2=CC3=CC1OC=4C(Cl)=CC(=CC4)C(O)C(NC(C(CC(C)C)NC)=O)C(=O)NC(CC(N)=O)C(=O)NC3C(=O)NC5C=6C=C(C=7C(C(C(O)=O)NC(=O)C(C(O)C=8C=C(Cl)C(O2)=CC8)NC5=O)=CC(O)=CC7O)C(O)=CC6)C9C(OC%10CC(C)(N)C(O)C(C)O%10)C(O)C(O)C(CO)O9.Cl
Canonical SMILES
Cl.O=C(O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C(NC(=O)C(NC(=O)C(NC)CC(C)C)C(O)C4=CC=C(OC5=CC3=CC(OC6=CC=C(C=C6Cl)C2O)=C5OC7OC(CO)C(O)C(O)C7OC8OC(C)C(O)C(N)(C)C8)C(Cl)=C4)CC(=O)N)C9=CC=C(O)C(=C9)C%10=C(O)C=C(O)C=C%101
Other Names for this Substance
- Vancomycin, hydrochloride
- 22H-8,11:18,21-Dietheno-23,36-(iminomethano)-13,16:31,35-dimetheno-1H,16H-[1,6,9]oxadiazacyclohexadecino[4,5-m][10,2,16]benzoxadiazacyclotetracosine, vancomycin deriv.
- Vancocin hydrochloride
- Vancocine hydrochloride
- Lyphocin
- Vancor
- Meek
- Vancocyn
- Laikexin
Deleted or Replaced CAS Registry Numbers
12688-10-7, 51274-08-9
