| Identification | More | [Name]
DIGITOXIGENIN | [CAS]
143-62-4 | [Synonyms]
20(22),5BETA-CARDENOLID-3BETA,14BETA-DIOL
3,14,21-TRIHYDROXY-20(22)-NORCHOLENIC ACID LACTONE
3BETA,14-DIHYDROXY-5BETA,20[22]-CARDENOLIDE
5BETA,20[22]-CARDENOLIDE-3BETA,14-DIOL
DIGITOXIGENIN
THEVETIGENIN
3,14-dihydroxy-,(3-beta,5-beta)-card-20(22)-enolid
3-beta,14-dihydroxy-5-beta-card-20(22)-enolid
3-beta,14-dihydroxy-5-beta-card-20(22)-enolide
3-beta,14-dioxy-carden-(20:22)-olid
3-beta,14-dioxy-digen-(20:22)-olid
cardogenen-(20:22)-diol-(3-beta,14)
cerberigenin
delta-sup(20:22)-3,14,21-trihydroxynorcholenicacidlactone
digitoxigenine
echujetin
evonogenin
3-beta,14-dihydroxy-5-beta,14-beta-card-20(22)-enolide
3β,14-dihydroxy-5β,20(22)-cardenolide
DIGITOXYGENIN | [EINECS(EC#)]
205-603-4 | [Molecular Formula]
C23H34O4 | [MDL Number]
MFCD00003687 | [Molecular Weight]
374.51 | [MOL File]
143-62-4.mol |
| Chemical Properties | Back Directory | [Melting point ]
253-255 °C (dec.)(lit.) | [alpha ]
D17 +19.1° (c = 1.36 in methanol) | [Boiling point ]
423.5°C (rough estimate) | [density ]
1.0284 (rough estimate) | [refractive index ]
1.4433 (estimate) | [storage temp. ]
Store at -20°C | [solubility ]
DMF: 25 mg/ml; DMF:PBS(pH 7.2)(1:1): 0.5 mg/ml; DMSO: 20 mg/ml; Ethanol: 5 mg/ml | [form ]
powder to crystal | [pka]
14.93±0.70(Predicted) | [color ]
White to Almost white | [Optical Rotation]
+2323 (c 0.5, CHCl3) | [Water Solubility ]
11.24mg/L(30 ºC) | [Merck ]
3162 | [BRN ]
95448 | [Stability:]
Hygroscopic | [InChIKey]
XZTUSOXSLKTKJQ-CESUGQOBSA-N | [SMILES]
[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@]34O)C5=CC(=O)OC5)[C@@]1(C)CC[C@H](O)C2 | [LogP]
2.640 | [CAS DataBase Reference]
143-62-4(CAS DataBase Reference) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS06 | [Signal word ]
Danger | [Hazard statements ]
H300 | [Precautionary statements ]
P264-P270-P301+P310-P405-P501 | [Hazard Codes ]
T | [Risk Statements ]
R25:Toxic if swallowed. | [Safety Statements ]
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . | [RIDADR ]
UN 3462 6.1/PG 2
| [WGK Germany ]
3
| [RTECS ]
FH4975000
| [HS Code ]
2938.90.0000 | [HazardClass ]
6.1(a) | [PackingGroup ]
II | [Storage Class]
6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials | [Hazard Classifications]
Acute Tox. 2 Oral | [Toxicity]
cat,LDLo,intravenous,254ug/kg (0.254mg/kg),GASTROINTESTINAL: NAUSEA OR VOMITING,Journal of the American Pharmaceutical Association. Vol. 27, Pg. 189, 1938. |
| Hazard Information | Back Directory | [Uses]
Cardiotonic;Na+ K+ ATPase inhibitor | [Definition]
ChEBI: Digitoxigenin is a 5beta-cardenolide that is 5beta-cardanolide with hydroxy substituents at the 3beta- and 14beta-positions and double bond unsaturation at C(20)-C(22). It is a 3beta-hydroxy steroid and a 14beta-hydroxy steroid. It derives from a hydride of a 5beta-cardanolide. | [Purification Methods]
Dissolve digitoxigenin in EtOAc, wash it with H2O, dry it (Na2SO4), evaporate and recrystallise it from 40% aqueous EtOH or aqueous MeOH then EtOAc/Et2O. The UV has max at 218nm ( 14,500 M-1cm-1). The 3-acetate crystallises from Me2CO/Et2O with m 222-227o, [] D 20 +21o (c 1, CHCl3). [Wyss et al. Helv Chim Acta 43 644 1960, Cruz et al. J Org Chem 4 2 3580 1977, Beilstein 18 IV 1468.] |
|
| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
|