Second International Standard for Vancomycin

Analyte Name

Vancomycin hydrochloride

CAS Number

1404-93-9

Molecular Formula

C66 H75 Cl2 N9 O24 . Cl H

Molecular Weight

1485.71

Accurate Mass

1483.4069

Flash Point

-20.0

SMILES

Cl.CNC(CC(C)C)C(=O)NC1C(O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)C(O)C6NC(=O)C(NC(=O)C4NC(=O)C(CC(=O)N)NC1=O)c7ccc(O)c(c7)c8c(O)cc(O)cc8C(NC6=O)C(=O)O)c3O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O[C@H]%10C[C@](C)(N)[C@H](O)[C@H](C)O%10)c(Cl)c2

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

IUPAC

Vancomycin hydrochloride

Alternate CAS Number

Free base: 1404-90-6; Monohydrate: 197638-25-8;

Storage Temperature

Freezer

Shipping Temperature

Room Temperature

Country of Origin

FRANCE

Product Type

API

Product Format

Neat

API Family

Vancomycin Hydrochloride

Analytical Method

Monograph only