Compound Summary
Compound Information
Vancomycin HCL
Compound Name: | Vancomycin HCL |
Compound CID: | 6420023 |
Synonyms: | Vancomycin HCL VANCOMYCIN HYDROCHLORIDE 1404-93-9 Vancomycin monohydrochloride Vancomycin, hydrochloride More... |
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 |
InChIKey: | LCTORFDMHNKUSG-XTTLPDOESA-N |
Canonical Smiles: | CC1C(C(CC(O1)OC2C(C(C(OC2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)C(C(C(=O)NC(C(=O)NC5C(=O)NC7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9O)O)C(NC(=O)C(C(C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)CC(=O)N)NC(=O)C(CC(C)C)NC)O)Cl)CO)O)O)(C)N)O.Cl |
Isomeric Smiles: | C[C@H]1[C@H]([C@@](C[C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9O)O)[C@H](NC(=O)[C@H]([C@@H](C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)Cl)CO)O)O)(C)N)O.Cl |
Molecular Weight: | 1485.7 |
Molecular Formula: | C66H76Cl3N9O24 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Vancomycin HCL
Molecular Weight: | 1485.7 |
Molecular Formula: | C66H76Cl3N9O24 |
Hydrogen Bond Donor Count: | 20 |
Hydrogen Bond Acceptor Count: | 26 |
Rotatable Bond Count: | 13 |
Heavy Atom Count: | 102 |
Complexity: | 2960 |
Synonyms
Vancomycin HCL
| Vancomycin HCL | Vancomycin HCL |
|---|---|
Vancomycin HCL |
VANCOMYCIN HYDROCHLORIDE |
1404-93-9 |
Vancomycin monohydrochloride |
Vancomycin, hydrochloride |
UNII-71WO621TJD |
71WO621TJD |
Vancomycin (hydrochloride) |
Vancomycin hydrochloride from Streptomyces orientalis |
AeroVanc |
197638-25-8 |
Vancocine hydrochloride |
Vancocin hydrochloride |
SR-01000076194 |
Prestwick_816 |
Vancomycin hydrochloride USP:JAN |
Cancocin hydrochloride |
Vancocin hydrochloride in plastic container |
Vancomycin HCl (Vancocin) |
Vancomycin, monohydrochloride |
VANCOMYCINHYDROCHLORIDE |
CHEMBL1200628 |
CHEMBL3747636 |
DTXSID90891868 |
HMS1569D15 |
Tox21_501267 |
Vancomycin Hydrochloride manufacturer |
NSC717112 |
s2575 |
AKOS025402079 |
AC-4511 |
CCG-222571 |
CS-0908 |
LP01267 |
NSC 757377 |
NSC-717112 |
NCGC00261952-01 |
HY-17362 |
EU-0101267 |
V 8138 |
Vancomycin hydrochloride in a plastic container |
SR-01000076194-1 |
SR-01000076194-6 |
Vancomycin hydrochloride 100 microg/mL in Methanol |
Q27265994 |
Experimental Data
Vancomycin HCL
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33 | umol/L | 5 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
Vancomycin HCL
Statistics Data
Vancomycin HCL
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 5 | 1 | 1 |
Statistics Data Visualization
Vancomycin HCL
