AG001CD1

1404-93-9 | Vancomycin, hydrochloride

AG001CD1

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CAS Number	1404-93-9
Catalog Number	AG001CD1(AGN-PC-0PPPWS)
Chemical Name	Vancomycin, hydrochloride
EC Number	604-193-8
IUPAC Name	(1S,2R,18R,19R,22S,25R,28R,40S)-48-[(2S,3R,4S,5S,6R)-3-[(2S,4S,5S,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid;hydrochloride
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
InChI Key	LCTORFDMHNKUSG-XTTLPDOESA-N
MDL Number	MFCD03613611
Molecular Formula	C66H76Cl3N9O24
Molecular Weight	1485.7145
NSC Number	717112
SMILES	O(c1c2cc3cc1Oc1c(Cl)cc(cc1)[C@@H](O)[C@H](C(=O)N[C@H](C(=O)N[C@H]3C(=O)N[C@@H]1c3cc(c4c([C@H](NC(=O)[C@H]([C@@H](c5cc(c(O2)cc5)Cl)O)NC1=O)C(=O)O)cc(cc4O)O)c(cc3)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)[C@H]1[C@H](O[C@H]2C[C@](C)(N)[C@@H]([C@@H](O2)C)O)[C@@H](O)[C@@H]([C@H](O1)CO)O.Cl
UNII	71WO621TJD
Synonyms	AB-Vancomycin, Diatracin, Hydrochloride, Vancomycin, Sulfate, Vancomycin, Vanco Azupharma, VANCO-cell, Vanco-saar, Vancocin, Vancocin HCl, Vancocine, Vancomicina Abbott, Vancomicina Chiesi, Vancomicina Combino Phar, Vancomicina Norman, Vancomycin, Vancomycin Hexal, Vancomycin Hydrochloride, Vancomycin Lilly, Vancomycin Phosphate (1:2), Vancomycin Phosphate (1:2), Decahydrate, Vancomycin Sulfate, Vancomycin-ratiopharm, Vancomycine Dakota, Vancomycin HCL, VANCOMYCIN HYDROCHLORIDE, 1404-93-9, Vancomycin monohydrochloride, UNII-71WO621TJD, VANCOR, Vancocine hydrochloride, 71WO621TJD, Vancomycin hydrochloride from Streptomyces orientalis, Vancocin hydrochloride, AeroVanc, Vancomycin, hydrochloride, Vancomycin, monohydrochloride, SR-01000076194, Prestwick_816, Vancomycin hydrochloride [USP:JAN], Cancocin hydrochloride, Vancocin hydrochloride in plastic container, Vancomycin HCl (Vancocin), vancomycin-hydrochloride-vancocin, CHEMBL1200628, CHEMBL3747636, LCTORFDMHNKUSG-XTTLPDOESA-N, HMS1569D15, Tox21_501267, NSC717112, s2575, AKOS025402079, AC-4511, CCG-222571, LP01267, NSC-717112, NCGC00261952-01, BC226209, EU-0101267, V 8138, Vancomycin hydrochloride in a plastic container, SR-01000076194-1, SR-01000076194-6, Vancoled, Vancomycin-hydrochloride, Vancomycin (hydrochloride), VINLEUROSINE SULFATE, VANCOMYCIN HCL 100MG, C66H75Cl2N9O24.ClH, Vancomycin hydrochloride [USAN], MFCD03613611, ACN-039932, CID6420023, CS-O-02547, C66-H75-Cl2-N9-O24.Cl-H, Vancomycin hydrochloride, from Streptomyces orientalis, >/=900 mug/mg - 1G 1g, (3S-(3R*,6S*(S*),7S*,22S*,23R*,26R*,36S*,38aS*))-3-(2-Amino-2-oxoethyl)-44-((2-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-lyxo-hexopyranosyl)-beta-D-glucopyranosyl)oxy)-10,19-dichloro-2,3,4,5,6,7,23,24,25,26,36,37,38,38a-tetradecahydro-7,22,28,30,32-pentahydroxy-6-((4-methyl-2-(methylamino)-1-oxopentyl)amino)-2,5,24,38,39-pentaoxo-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-26-carboxylic acid, monohydrochloride, (3S-(3R*,6S*(S*),7S*,22S*,23R*,26R*,36S*,38aS*))-3-(2-Amino-2-oxoethyl)-44-((2-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-lyxo-hexopyranosyl)-beta-D-glucopyranosyl)oxy)-10,19-dichloro-2,3,4,5,6,7,23,24,25,26,36,37,38,38a-tetradecahydro-7,22,28,30,32-pentahydroxy-6-((4-methyl-2-(methylamino)-1-oxopentyl)amino)-2,5,24,38,39-pentaoxo-22H-8,11:18,21-dietheno-23,36-(iminomethano)-13,16:31,35-dimetheno-1H,16H-(1,6,9)oxadiazacyclotetracosine-26-carbox,

Complexity	2960
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	18
Defined Bond Stereocenter Count	0
Exact Mass	1483.407g/mol
Formal Charge	0
Heavy Atom Count	102
Hydrogen Bond Acceptor Count	26
Hydrogen Bond Donor Count	20
Isotope Atom Count	0
Molecular Weight	1485.723g/mol
Monoisotopic Mass	1483.407g/mol
Rotatable Bond Count	13
Topological Polar Surface Area	531A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number