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(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-methyl-1-(D-valylamino)-2-propanyl]sulfanyl}acetate | CAS No. 101312-92-9

(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-methyl-1-(D-valylamino)-2-propanyl]sulfanyl}acetate

Basic Information

Chemical_Structure_Of
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CAS Number

101312-92-9

Molecular Formula

C31H52N2O5S

Molecular Weight

564.83 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Ketones
Basic Chemical Raw Materials Organic Chemicals Esters
Basic Chemical Raw Materials Organic Chemicals Ethers
Basic Chemical Raw Materials Organic Chemicals Amines
Fine Chemicals Surfactants Anionic Surfactants
Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Melting Point

140-143°C

SMILES

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CC1CCC23CCC(=O)C2C1(C(CC(C(C3C)O)(C)C=C)OC(=O)CSC(C)(C)CNC(=O)C(C(C)C)N)C

InChI

InChI=1S/C31H52N2O5S/c1-10-29(8)15-22(38-23(35)16-39-28(6,7)17-33-27(37)24(32)18(2)3)30(9)19(4)11-13-31(20(5)26(29)36)14-12-21(34)25(30)31/h10,18-20,22,24-26,36H,1,11-17,32H2,2-9H3,(H,33,37)/t19-,20+,22-,24-,25+,26+,29-,30+,31+/m1/s1

InChIKey

LLYYNOVSVPBRGV-MVNKZKPCSA-N

LogP

4.504200000000003

Topological Polar Surface Area

118.72 Ų

Hydrogen Bond Donor/Acceptor

4 / 7

Complexity

969

Synonyms & References

English

  • valnemuline
  • VALNEMULIN [MART.]
  • NS00008376
  • Valnemulin
  • 2AHC415BQG
  • 2-[[2-[[(2R)-2-amino-3-methyl-1-oxobutyl]-amino]-1,1-dimethyl-ethyl]-thio]-acetic acid, (3aS,4R,5S,-6S,8R,9R,-9aR,10R)-6-ethenyl-decahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl ester
  • (hydroxy-tetramethyl-oxo-vinyl-[?]yl) 2-[2-[[(2R)-2-amino-3-methyl-butanoyl]amino]-1,1-dimethyl-ethyl]sulfanylacetate
  • Acetic acid,[[2-[[(2R)-2-amino-3-methyl-1-oxobutyl]amino]-1,1-dimethylethyl]thio]-,(3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-ylester
  • VALNEMULIN [EMA EPAR VETERINARY]
  • UNII-2AHC415BQG
  • AB01566922_01
  • VALNEMULIN [MI]
  • Valnemulin [INN:BAN]
  • DTXSID2046751
  • ((2-((R)-2-Amino-3-methylbutyramido)-1,1-dimethylethyl)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
  • DTXCID0026751
  • valnemulina
  • SCHEMBL216709
  • NCGC00167968-01
  • VALNEMULIN (EMA EPAR VETERINARY)
  • CAS-101312-92-9
  • VALNEMULIN (MART.)
  • valnemulinum
  • 101312-92-9
  • [(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[1-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-methylpropan-2-yl]sulfanylacetate
  • Q7912519
  • Tox21_112596
  • CHEMBL1688852
  • Acetic acid,2-[[2-[[(2R)-2-amino-3-methyl-1-oxobutyl]amino]-1,1-dimethylethyl]thio]-,(3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-ylester
  • Acetic acid,2-[[2-[[(2R)-2-amino-3-methyl-1-oxobutyl]amino]-1,1-dimethylethyl]thio]-,(3aS,4R,5...
  • Acetic acid,2-[[2-[[(2R)-2-amino-3-methyl-1-oxobutyl]amino]-1,1-dimethylethyl]thio]-,(3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenylde

MDL Number

MFCD09832850

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-methyl-1-(D-valylamino)-2-propanyl]sulfanyl}acetate (CAS: 101312-92-9)?
(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-methyl-1-(D-valylamino)-2-propanyl]sulfanyl}acetate is a complex organic compound with a unique stereochemistry and functional groups. It is characterized by its hydroxyl and sulfanyl groups, as well as its methyl and vinyl substituents. This compound is primarily used in pharmaceutical research and development due to its complex structure and potential biological activities.

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-methyl-1-(D-valylamino)-2-propanyl]sulfanyl}acetate (CAS: 101312-92-9)?
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-methyl-1-(D-valylamino)-2-propanyl]sulfanyl}acetate include its application in pharmaceutical research as a potential drug candidate. It may be used in the development of new medications due to its unique chemical structure and potential medicinal properties.

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-methyl-1-(D-valylamino)-2-propanyl]sulfanyl}acetate (CAS: 101312-92-9) safe?
The safety 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-methyl-1-(D-valylamino)-2-propanyl]sulfanyl}acetate is currently being studied, but general precautions should be taken when handling this compound. It is important to wear appropriate personal protective equipment (PPE) and follow laboratory safety guidelines to prevent exposure. Storage and disposal should also be conducted under controlled conditions to ensure safety.

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-methyl-1-(D-valylamino)-2-propanyl]sulfanyl}acetate (CAS: 101312-92-9) be stored?
(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-methyl-1-(D-valylamino)-2-propanyl]sulfanyl}acetate should be stored in a cool, dry place away from direct sunlight and sources of ignition. It should be kept in a tightly sealed container to prevent moisture and air exposure. The storage temperature should be maintained between 15-25°C (59-77°F) to ensure stability and prevent degradation of the compound.

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Supplier Information

(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-methyl-1-(D-valylamino)-2-propanyl]sulfanyl}acetate — Hubei Weideli Chemical Technology Co., Ltd.

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(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-methyl-1-(D-valylamino)-2-propanyl]sulfanyl}acetate — Hubei Yangxin Pharmaceutical Technology Co., Ltd.

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(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-methyl-1-(D-valylamino)-2-propanyl]sulfanyl}acetate — ShenZhenAiTaHuaXue Co Ltd

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HuBeiDongKangYuan Technology Co Ltd

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(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-methyl-1-(D-valylamino)-2-propanyl]sulfanyl}acetate — HePeng （ ShangHai ） Biotechnology Co Ltd

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