Vancomycin, hydrochloride

CAS Registry Number®

1404-93-9
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CAS Name

Vancomycin, hydrochloride

Molecular Formula

C66H75Cl2N9O24.xClH

Cite this Page

Vancomycin, hydrochloride.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1404-93-9 (retrieved 2024-04-27) (CAS RN: 1404-93-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

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/t24-,34+,35-,42+,44-,46+,47+,48-,49+,50-,51+,52+,53+,54-,56+,57+,65-,66-;/m0./s1

InChIKey

InChIKey=LCTORFDMHNKUSG-XTTLPDOESA-N

SMILES

O(C=1C2=CC3=CC1OC=4C(Cl)=CC(=CC4)[C@@H](O)[C@@H](NC([C@@H](CC(C)C)NC)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@]3(C(=O)N[C@@]5(C=6C=C(C=7C([C@@H](C(O)=O)NC(=O)[C@]([C@H](O)C=8C=C(Cl)C(O2)=CC8)(NC5=O)[H])=CC(O)=CC7O)C(O)=CC6)[H])[H])[C@H]9[C@H](O[C@H]%10C[C@](C)(N)[C@H](O)[C@H](C)O%10)[C@@H](O)[C@H](O)[C@@H](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

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Deleted or Replaced CAS Registry Numbers

12688-10-7, 51274-08-9

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