Vancomycin Hydrochloride
PubChem CID: 6420023
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | VANCOMYCIN HYDROCHLORIDE, Vancomycin HCL, 1404-93-9, Vancomycin monohydrochloride, Vancomycin, monohydrochloride, Vancomycin, hydrochloride, Firvanq, Vancocin hydrochloride, 197638-25-8, Vancomycin (as hydrochloride), 71WO621TJD, NSC-757377, Vancomycin hydrochloride from Streptomyces orientalis, Vancocin hydrochloride in plastic container, Vancomycin (hydrochloride), AeroVanc, Vancocine hydrochloride, VANCOMYCIN HYDROCHLORIDE (MART.), VANCOMYCIN HYDROCHLORIDE [MART.], VANCOMYCIN HYDROCHLORIDE (USP-RS), VANCOMYCIN HYDROCHLORIDE [USP-RS], VANCOMYCIN HYDROCHLORIDE (EP MONOGRAPH), VANCOMYCIN HYDROCHLORIDE (USP MONOGRAPH), VANCOMYCIN HYDROCHLORIDE [EP MONOGRAPH], VANCOMYCIN HYDROCHLORIDE [USP MONOGRAPH], SR-01000076194, UNII-71WO621TJD, Vancomycin HCl - pharma grade, Prestwick_816, Vancomycin hydrochloride [USP:JAN], Cancocin hydrochloride, VANCOMYCIN XHCL, FIRVANQ KIT, Hydrochloride, Vancomycin, Vancomycin HCl (Vancocin), Sterile Vancomycin Hydrochloride, C66H75Cl2N9O24.HCl, CHEMBL1200628, CHEMBL3747636, DTXSID3045354, Vancomycin hydrochloride (1:1), DTXSID90891868, HMS1569D15, XHA63825, Tox21_501267, Vancomycin Hydrochloride manufacturer, HB4581, HY-17362R, NSC717112, s2575, VANCOMYCIN HYDROCHLORIDE [JAN], AKOS025402079, Vancomycin (hydrochloride) (Standard), AC-4511, AV11352, CCG-222571, CS-0908, LP01267, NSC 757377, NSC-717112, VANCOMYCIN HYDROCHLORIDE [VANDF], NCGC00261952-01, VANCOMYCIN HYDROCHLORIDE [WHO-DD], VANCOMYCIN MONOHYDROCHLORIDE [MI], AV161115, DA-68533, HY-17362, Vancomycin Hydrochloride for Oral Solution, EU-0101267, VANCOMYCIN HYDROCHLORIDE [ORANGE BOOK], V 8138, Vancomycin hydrochloride in a plastic container, EN300-26256009, SR-01000076194-1, SR-01000076194-6, VANCOMYCIN HYDROCHLORIDE IN PLASTIC CONTAINER, Q27265994, 604-193-8 |
|---|---|
| Topological Polar Surface Area | 530.0 |
| Hydrogen Bond Donor Count | 20.0 |
| Heavy Atom Count | 102.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 2960.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 18.0 |
| 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 |
| Prediction Hob | 0.0 |
| Molecular Formula | C66H76Cl3N9O24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LCTORFDMHNKUSG-XTTLPDOESA-N |
| Fcsp3 | 0.4242424242424242 |
| Logs | -6.453 |
| Rotatable Bond Count | 13.0 |
| Logd | 0.67 |
| Compound Name | Vancomycin Hydrochloride |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 1483.41 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 1483.41 |
| Hydrogen Bond Acceptor Count | 26.0 |
| Molecular Weight | 1485.7 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 18.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -9.097885458823534 |
| 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 |
| 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 |
| Nring | 12.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Trigonostemon Howii (Plant) Rel Props:Source_db:cmaup_ingredients