Spectinomycin dihydrochloride pentahydrate
CAS Number: 22189-32-8
Molecular Mass: 495.3 g/mol
Formula: C14H36Cl2N2O12
Smiles: CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@@]3(O)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O.Cl.Cl.O.O.O.O.O
Synonymes:
Spectinomycin dihydrochloride pentahydrate, Spectinomycin hydrochloride, Spectinomycin HCl, Spectinomycin hydrochloride hydrate, Espectinomicina dihydrochloride pentahydrate, Spectogard, U-18,409AE, Actinospectacin dihydrochloride pentahydrate, Spectinomycin hcl pentahydrate, HWT06H303Z, SPECTINOMYCIN HYDROCHLORIDE PENTAHYDRATE, U-18409AE, NSC-757319, Spectinomycini hydrochloridum, CHEBI:9217, Spectam Tablets, PROSPEC Injectable, NSC248616, RefChem:57027, Spectinomycin Oral Liquid, magnesium, 2-hydroxybenzoate, Spectinomycin Tablet and Injection, (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-Trihydroxy-2-methyl-6,8-bis(methylamino)-2,3,4a,5a,6,7,8,9,9a,10a-decahydro-4H-pyrano(2,3-b)(1,4)benzodioxin-4-one dihydrochloride pentahydrate, 4H-Pyrano(2,3-b)(1,4)benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, Dihydrochloride,(2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-, 22189-32-8, Trobicin, Spectam, MFCD00150886, U 18,400AE, (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4H-benzo[b]pyrano[2,3-e][1,4]dioxin-4-one dihydrochloride pentahydrate, SPECTINOMYCIN PENTAHYDRATE DIHYDROCHLORIDE, 4H-Pyrano[2,3-b][1,4]benzodioxin-4-one,decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-,dihydrochloride, pentahydrate,[2R-(2a,4ab,5ab,6b,7b,8b,9a,9aa,10ab)]-, M 141, 4H-Pyrano(2,3-b)(1,4)benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, dihydrochloride, pentahydrate, Decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-4H-pyrano(2,3-b)(1,4)benzodioxin-4-one dihydrochloride pentahydrate, Togamycin dihydrochloride pentahydrate, UNII-HWT06H303Z, Trobicin (TN), Spectinomycin (hydrochloride hydrate), Spectinomycin HCl hydrate, Spectinomycin, dihydrochloride, pentahydrate, C14H36Cl2N2O12, Decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-4H-pyrano[2,3-b][1,4]benzodioxin-4-one dihydrochloride pentahydrate, 22189-32-8 (HCl hydrate), Spectinomycin hydrochloride [USAN:USP:JAN], SCHEMBL178082, Spectinomycin hydrochloride CRS, MSK7701A, orb1310291, orb3025091, CHEMBL3989571, DTXSID90944843, DCHJOVNPPSBWHK-UXXUFHFZSA-N, Spectinomycin hydrochloride (USP), MSK7701A-100M, MSK7701A-1000M, EBC-15031, s5417, T0788L, AKOS008145409, AS61455, DS-7849, NSC 757319, Spectinomycin for system suitability CRS, SPECTINOMYCIN HYDROCHLORIDE [USAN], SPECTINOMYCIN HYDROCHLORIDE [VANDF], SPECTINOMYCIN HYDROCHLORIDE [USP-RS], Spectinomycin hydrochloride hydrate (JP17), Trobicin, Spectinomycin hydrochloride hydrate, D00869, SPECTINOMYCIN HYDROCHLORIDE [ORANGE BOOK], SPECTINOMYCIN HYDROCHLORIDE HYDRATE [JAN], SPECTINOMYCIN HYDROCHLORIDE [USP IMPURITY], SPECTINOMYCIN HYDROCHLORIDE [USP MONOGRAPH], SPECTINOMYCINI HYDROCHLORIDUM [WHO-IP LATIN], Q27108318, SPECTINOMYCIN DIHYDROCHLORIDE PENTAHYDRATE [MI], SPECTINOMYCIN HYDROCHLORIDE PENTAHYDRATE [WHO-DD], Z608353996, Spectinomycin dihydrochloride pentahydrate, >=98.0% (AT), SPECTINOMYCIN HYDROCHLORIDE PENTAHYDRATE [GREEN BOOK], SPECTINOMYCIN DIHYDROCHLORIDE PENTAHYDRATE [EP IMPURITY], SPECTINOMYCIN DIHYDROCHLORIDE PENTAHYDRATE [EP MONOGRAPH], SPECTINOMYCIN DIHYDROCHLORIDE PENTAHYDRATE [GREEN BOOK], Spectinomycin dihydrochloride pentahydrate, Cell Culture Grade, Spectinomycin dihydrochloride pentahydrate, powder, gamma-irradiated, Spectinomycin hydrochloride hydrate Solution in Methanol, 1000ug/mL, Spectinomycin hydrochloride hydrate Solution in Methanol, 100ug/mL, Spectinomycin dihydrochloride pentahydrate, potency: >=603 mug per mg, Spectinomycin dihydrochloride pentahydrate, powder, BioReagent, suitable for cell culture, Spectinomycin dihydrochloride pentahydrate, VETRANAL(TM), analytical standard, Spectinomycin hydrochloride, United States Pharmacopeia (USP) Reference Standard, (1R,3S,5R,8R,10R,11S,12S,13R,14S)-8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-one, pentahydrate, dihydrochloride, (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4H-benzo[b]pyrano[2,3-e][1,4]dioxin-4-onedihydrochloridepentahydrate, (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4H-pyrano[2,3-b][1,4]benzodioxin-4-one dihydrochloride pentahydrate, (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4H-pyrano[2,3-b][1,4]benzodioxin-4-one dihydrochloride--water (1/5), (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-Trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4H-pyrano[2,3-b][1,4]benzodioxin-4-one hydrochloride hydrate, (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-Trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4H-pyrano[2,3-b][1,4]benzodioxin-4-one--hydrogen chloride--water (1/2/5), (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)octahydro-2H-benzo[b]pyrano[2,3-e][1,4]dioxin-4(3H)-one dihydrochloride pentahydrate, (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-trihydroxy-N,N',2-trimethyl-4-oxodecahydro-2H-pyrano[2,3-b][1,4]benzodioxine-6,8-diaminium dichloride--water (1/5), (2R-(2.ALPHA.,4A.BETA.,5A.BETA.,6.BETA.,7.BETA.,8.BETA.,9.ALPHA.,9A.ALPHA.,10A.BETA.))-DECAHYDRO-4A,7,9-TRIHYDROXY-2-METHYL-6,8-BIS(METHYLAMINO)-4H-PYRANO(2,3-B)(1,4)BENZODIOXIN-4-ONE DIHYDROCHLORIDE PENTAHYDRATE, 4H-PYRANO(2,3-B)(1,4)BENZODIOXIN-4-ONE, DECAHYDRO-4A,7,9-TRIHYDROXY-2-METHYL-6,8-BIS(METHYLAMINO)-, HYDROCHLORIDE, HYDRATE (1:2:5), (2R,4AR,5AR,6S,7S,8R,9S,9AR,10AS)-
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| 1-Propanol | 278.15 | - | 6.6 | [32] |
| 1-Propanol | 283.15 | - | 8.375 | [32] |
| 1-Propanol | 288.15 | - | 10.47 | [32] |
| 1-Propanol | 293.15 | - | 14.53 | [32] |
| 1-Propanol | 298.15 | - | 17.8 | [32] |
| 1-Propanol | 303.15 | - | 22.11 | [32] |
| 1-Propanol | 308.15 | - | 24.42 | [32] |
| 1-Propanol | 313.15 | - | 29.14 | [32] |
| 1-Propanol | 318.15 | - | 34.46 | [32] |
| Ethanol | 278.15 | - | 29.61 | [32] |
| Ethanol | 283.15 | - | 35.48 | [32] |
| Ethanol | 288.15 | - | 37.95 | [32] |
| Ethanol | 293.15 | - | 41.28 | [32] |
| Ethanol | 298.15 | - | 46.27 | [32] |
| Ethanol | 303.15 | - | 53.14 | [32] |
| Ethanol | 308.15 | - | 55.8 | [32] |
| Ethanol | 313.15 | - | 61.72 | [32] |
| Ethanol | 318.15 | - | 67.15 | [32] |
| Isopropanol | 278.15 | - | 2.04 | [32] |
| Isopropanol | 283.15 | - | 2.6 | [32] |
| Isopropanol | 288.15 | - | 3.32 | [32] |
| Isopropanol | 293.15 | - | 4.28 | [32] |
| Isopropanol | 298.15 | - | 4.77 | [32] |
| Isopropanol | 303.15 | - | 5.51 | [32] |
| Isopropanol | 308.15 | - | 6.439 | [32] |
| Isopropanol | 313.15 | - | 7.226 | [32] |
| Isopropanol | 318.15 | - | 8.257 | [32] |
| Methanol | 278.15 | - | 124.2 | [32] |
| Methanol | 283.15 | - | 172.9 | [32] |
| Methanol | 288.15 | - | 232.0 | [32] |
| Methanol | 293.15 | - | 282.2 | [32] |
| Methanol | 298.15 | - | 402.2 | [32] |
| Methanol | 303.15 | - | 483.4 | [32] |
| Methanol | 308.15 | - | 551.7 | [32] |
| Methanol | 313.15 | - | 670.0 | [32] |
| Methanol | 318.15 | - | 796.5 | [32] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 1242.8941 |
| PMI2 | 2817.0709 |
| PMI3 | 3430.4871 |
| NPR1 | 0.3623 |
| NPR2 | 0.8212 |
| RadiusOfGyration | 2.7497 |
| InertialShapeFactor | 0.0007 |
| Eccentricity | 0.9321 |
| Asphericity | 0.2723 |
| SpherocityIndex | 0.3071 |
| PBF | 0.7344 |