Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed C   > Card-20(22)-enolide,3-[(O-4-O-acetyl-2,6-dideoxy-b-D-ribo-hexopyranosyl-(1®4)-O-2,6-dideoxy-b-D-...
7689-03-4 structure

Card-20(22)-enolide,3-[(O-4-O-acetyl-2,6-dideoxy-b-D-ribo-hexopyranosyl-(1®4)-O-2,6-dideoxy-b-D-ribo-hexopyranosyl-(1®4)-2,6-dideoxy-b-D-ribo-hexopyranosyl)oxy]-14-hydroxy-, (3b,5b)- (9CI)

CAS No.:7689-03-4
Molecular Weight:348.35204
Molecular Formula:C7H19BR2N3S (isomer)
Names and Identifiers
Synonyms

4'''-Acetyldigitoxin Acedoxin b-Acetyldigitoxin beta-acetyldigitoxin b-Monoacetyldigitoxin Digitoxin 4'''-acetate Digitoxin,4'''-acetate (8CI)

Inchi
InChI=1/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1
Canonical Smiles
CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O
Isomers Smiles
CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O
Properties
Density
0.89
Melting Point
260℃
Boiling Point
389.8°C at 760 mmHg
Refractive Index
1.787
Flash Point
756.1°C
Safety and Handling
Risk Statements
R25
Safety Statements
S26;S36/37/39;S45
Hazard Note
H301
Safety

Poison by ingestion and intravenous routes. When heated to decomposition it emits acrid smoke and fumes. See also DIGITOXIN.

Toxicity
1.    

ivn-cat LD50:476 µg/kg

    JPETAB    Journal of Pharmacology and Experimental Therapeutics. 111 (1954),365.
2.    

orl-gpg LD50:50 mg/kg

    AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 159 (1966),1.
3.    

ivn-gpg LDLo:1750 µg/kg

    ARZNAD    Arzneimittel-Forschung. Drug Research. 15 (1965),481.
Transport
UN 1544
Specification

 Digitoxin, acetate, beta- (CAS NO.1264-51-3) is also called as beta-Acetyldigitoxin ; 4-18-00-01479 (Beilstein Handbook Reference) ; BRN 0077281 ; Digitoxigenin + 2-digitoxose + 1-acetyl-(4)-digitose ; Digitoxigenin + 2-digitoxose + 1-acetyl-(4)-digitose [German] ; Digitoxigenin + 2-digitoxose + acetyl-(3)-digitoxose ; Digitoxigenin + 2-digitoxose + acetyl-(3)-digitoxose [German] .

Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

P321 Specific treatment (see ... on this label).

P330 Rinse mouth.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:348.35204g/mol
  • Molecular Formula:C7H19BR2N3S
  • Exact Mass:348.111007
  • Monoisotopic Mass:348.111007
  • Complexity:742
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:79.7
  • Heavy Atom Count:26
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
Recommended Suppliers
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-571-87670983
  • Fax:86-571-86821328
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-27-13667132959
  • Fax:86-27-13667132919
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-21-61124658
  • Fax:86-21-61294103
  • Tel:86-188-74586545
  • Fax:86-27-83214668
Recommended Suppliers
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-571-87670983
  • Fax:86-571-86821328
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-27-13667132959
  • Fax:86-27-13667132919
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-21-61124658
  • Fax:86-21-61294103
  • Tel:86-188-74586545
  • Fax:86-27-83214668
 
<