(1S,2R,3S,4S,6R,7R,8R,14R)-3-Hydroxy-2,4,7,14-tetramethyl-9-oxo-4-vinyltricyclo[5.4.3.0~1,8~]tetradec-6-yl {[2-(diethylamino)ethyl]sulfanyl}acetate (2E)-2-butenedioate (1:1) | CAS No. 55297-96-6

(1S,2R,3S,4S,6R,7R,8R,14R)-3-Hydroxy-2,4,7,14-tetramethyl-9-oxo-4-vinyltricyclo[5.4.3.0~1,8~]tetradec-6-yl {[2-(diethylamino)ethyl]sulfanyl}acetate (2E)-2-butenedioate (1:1)

Basic Information

CAS Number

55297-96-6

Molecular Formula

C32H51NO8S

Molecular Weight

609.83 g/mol

AD

Basic Physical Properties

Melting Point

147-148ºC

Boiling Point

563℃

Water Solubility

Soluble in water

Flash Point

>110°(230°F)

CCN(CC)CCSCC(=O)O[C@@H]1C[C@@]([C@H]([C@@H]([C@@]23CC[C@H]([C@@]1([C@@H]2C(=O)CC3)C)C)C)O)(C)C=C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C28H47NO4S.C4H4O4/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28;5-3(6)1-2-4(7)8/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t19-,20+,22-,24+,25+,26-,27+,28+;/m1./s1

InChIKey

YXQXDXAHCSEVSD-GCYNEOGWSA-N

LogP

4.679700000000004

Topological Polar Surface Area

141.44 Ų

Hydrogen Bond Donor/Acceptor

3 / 9

Complexity

889

Safety Information

View Safety Information

GHS Hazard Pictograms

H302H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

  • Tiamulin hydrogen famarate
  • ((2-(DIETHYLAMINO)ETHYL)THIO)ACETIC ACID 8-ESTER WITH (3AS,4R,5S,6S,8R,9R,9AR,10R)-OCTAHYDRO-5,8-DIHYDROXY-4,6,9,10-TETRAMETHYL-6-VINYL-3A,9-PROPANO-3AH-CYCLOPENTACYCLOOCTEN-1(4H)-ONE FUMARATE
  • DENAGARD
  • ,10-tetramethyl-1-oxo-3-alpha,9-propano-3-alpha-h-cyclopentacycloocten-8-yles
  • 14-deoxy-14-((2-diethylaminoethyl)-mercaptoacetoxy)-mutilinhydrogenfumarate
  • 14-desossi-14-((2-dietilaminoetil)mercapto-acetossi)mutilinidrogenofumarato
  • 81723hfu
  • dynamutilin
  • sandoz81723hfu
  • Tiamulin Fumatate
  • Tiamulin Fumarate
  • Thiamutilin fumarate
  • [[2-(Diethylamino)ethyl]thio]-acetic acid 6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl ester (E)-2-butenedioate
  • Tiamulin fumarate

MDL Number

MFCD27966802

Customs Code

2942000000

FAQ

What is (1S,2R,3S,4S,6R,7R,8R,14R)-3-Hydroxy-2,4,7,14-tetramethyl-9-oxo-4-vinyltricyclo[5.4.3.0~1,8~]tetradec-6-yl {[2-(diethylamino)ethyl]sulfanyl}acetate (2E)-2-butenedioate (1:1) (CAS: 55297-96-6)?

This compound, with the CAS number 55297-96-6, is a complex organic molecule characterized by its multiple chiral centers and functional groups. It contains a hydroxy group, a ketone group, and a vinyl group, along with a sulfanyl and an acetate moiety. The compound is known for its structural complexity and is often used in specialized chemical applications. Its molecular formula is C23H44N2O6S.

What are the main uses of (1S,2R,3S,4S,6R,7R,8R,14R)-3-Hydroxy-2,4,7,14-tetramethyl-9-oxo-4-vinyltricyclo[5.4.3.0~1,8~]tetradec-6-yl {[2-(diethylamino)ethyl]sulfanyl}acetate (2E)-2-butenedioate (1:1) (CAS: 55297-96-6)?

This compound is primarily used in pharmaceutical research for the development of potential therapeutic agents. It may also find applications in organic synthesis due to its complex structure and functional groups. Its use in food or industrial sectors is limited, and it is mainly of interest in specialized scientific studies involving chemical reactivity and biological activity.

Is (1S,2R,3S,4S,6R,7R,8R,14R)-3-Hydroxy-2,4,7,14-tetramethyl-9-oxo-4-vinyltricyclo[5.4.3.0~1,8~]tetradec-6-yl {[2-(diethylamino)ethyl]sulfanyl}acetate (2E)-2-butenedioate (1:1) (CAS: 55297-96-6) safe?

The safety of this compound depends on its specific application and exposure conditions. It is generally considered to have moderate toxicity when handled improperly. Precautions include wearing appropriate personal protective equipment (PPE) and ensuring proper ventilation. Safety standards for handling this compound are typically aligned with those for organic chemicals and should follow guidelines for chemical exposure and waste disposal.

How should (1S,2R,3S,4S,6R,7R,8R,14R)-3-Hydroxy-2,4,7,14-tetramethyl-9-oxo-4-vinyltricyclo[5.4.3.0~1,8~]tetradec-6-yl {[2-(diethylamino)ethyl]sulfanyl}acetate (2E)-2-butenedioate (1:1) (CAS: 55297-96-6) be stored?

This compound should be stored in a cool, dry, and dark place, ideally at temperatures below 25°C. It should be kept in a sealed container to prevent moisture and air exposure. Storage precautions include avoiding direct sunlight and ensuring it is kept away from incompatible substances to maintain its stability and integrity.

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