Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Animal Pharmaceuticals  /  Pharmaceutical Intermediates  /  Pharmaceutical
VALNEMULIN HYDROCHLORIDE structure
VALNEMULIN HYDROCHLORIDE structure

VALNEMULIN HYDROCHLORIDE

Iupac Name:[(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;hydrochloride
CAS No.: 133868-46-9
Molecular Weight:601.28
Modify Date.: 2022-10-31 03:16
Introduction: Hydrochloride salt Valnemulin, semisynthetic antibiotic; derivative of pleuromutilin. Antibacterial. View more+
1. Names and Identifiers
1.1 Name
VALNEMULIN HYDROCHLORIDE
1.2 Synonyms

(1S,2R,3S,4S,6R,7R,8R,14R)-3-Hydroxy-2,4,7,14-tetramethyl-9-oxo-4-vinyltricyclo[5.4.3.0]tetradec-6-yl {[2-methyl-1-(D-valylamino)-2-propanyl]sulfanyl}acetate hydrochloride (1:1) 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-yl ester, hydrochloride (1:1) 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, Monohydrochloride (9CI) econor Etodoiac S4216 UNII-W1GDP58BNQ Valnemulin (Hydrochloride) VALNEMULIN HCL ValneMulin hyd Valnemulin hydrochloride Solution, 100ppm

1.3 CAS No.
133868-46-9
1.4 CID
60195218
1.5 EINECS(EC#)
1308068-626-2
1.6 Molecular Formula
C31H53ClN2O5S (isomer)
1.7 Inchi
InChI=1S/C31H52N2O5S.ClH/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);1H/t19-,20+,22-,24-,25+,26+,29-,30+,31+;/m1./s1
1.8 InChkey
MFBPRQKHDIVLOJ-AFFLPQGKSA-N
1.9 Canonical Smiles
CC1CCC23CCC(=O)C2C1(C(CC(C(C3C)O)(C)C=C)OC(=O)CSC(C)(C)CNC(=O)C(C(C)C)N)C.Cl
1.10 Isomers Smiles
C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CSC(C)(C)CNC(=O)[C@@H](C(C)C)N)C.Cl
2. Properties
2.1 Boiling point
672.7 °C at 760 mmHg
2.1 Flash Point
360.6 °C
2.1 Precise Quality
600.33600
2.1 PSA
144.02000
2.1 logP
6.39740
2.1 Appearance
White to Almost white powder to crystal
2.2 Storage
0-6°C
2.3 Chemical Properties
White to Off-White Solid
2.4 Color/Form
Powder
2.5 StorageTemp
Inert atmosphere,Store in freezer, under -20°C
3. Use and Manufacturing
3.1 Usage
Hydrochloride salt Valnemulin, semisynthetic antibiotic; derivative of pleuromutilin. Antibacterial.
4. Safety and Handling
4.1 RIDADR
NONH for all modes of transport
4.1 WGK Germany
3
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H319 Causes serious eye irritation

H335 May cause respiratory irritation

H400 Very toxic to aquatic life

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

P273 Avoid release to the environment.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

P391 Collect spillage.

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

6. Other Information
6.0 Merck
14,9911
6.1 Chemical Properties
White to Off-White Solid
6.2 Uses
Hydrochloride salt Valnemulin, semisynthetic antibiotic; derivative of pleuromutilin. Antibacterial.
6.3 Uses
Valnemulin hydrochloride is the salt prepared from valnemulin taking advantage of the basic amino group which protonates and readily forms the salt in hydrochloric acid solutions. The hydrochloride is the preferred formulation for pharmaceutical applications. Valnemulin is a broad spectrum antibiotic used to control gastrointestinal infections in animals, and shows no cross resistance to other antibiotic classes. Like all the pleuromutilins, valnemulin inhibits protein synthesis by binding to domain V of 23S RNA.
6.4 Uses
Valnemulin Hydrochloride is a semisynthetic antibiotic; derivative of pleuromutilin. Antibacterial.
7. Computational chemical data
  • Molecular Weight: 601.28g/mol
  • Molecular Formula: C31H53ClN2O5S
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 600.3363717
  • Monoisotopic Mass: 600.3363717
  • Complexity: 969
  • Rotatable Bond Count: 10
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 7
  • Topological Polar Surface Area: 144
  • Heavy Atom Count: 40
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 2
  • CACTVS Substructure Key Fingerprint: AAADcfB7OABEAAAAAAAAAAAAAAAAAYAAAAAwAAAAAAAYAGDAAAAAHgQQCAAADzzlwAaCCALABgiIAKHSGAAAAAAgABAIAIGIAAgAUBIAgAAWQAAE1gCgAAHKzPDPgAAAAAAAAACAAAQAACAAAAAACAAAAA==
8. Recommended Suppliers
Global80SuppliersView all >>
  • Products:biotechnology pharmaceutical intermediates biotechnology medical intermediates
  • Tel:0086-0310-15343106358
  • Email:guide@cnyouze.com
Valnemulin hydrochloride CAS:133868-46-9 the cheapest price
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/kg
  • Time: 2022/11/25
Inquire
  • Products:Chemical products, pharmaceutical intermediates, health food, fitness and muscle products research and development
  • Tel:86-0000-18330912755
  • Email:larissa@ylbosstech.com
Factory Supply Valnemulin Hydrochloride (133868-46-9)
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/kilogram
  • Time: 2022/03/10
Inquire
  • Products:Manufacture & Supply Biopharm Chemical, Specialty Chemical, PetroChemical.
  • Tel:86-592-8883942
  • Email:sale@amitychem.com
Factory Supply Valnemulin Hydrochloride
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 0.1 USD/kilogram
  • Time: 2022/07/07
Inquire
  • Products:Chemical products
  • Tel:86-571-88938639
  • Email:sales-gc@dycnchem.com
valnemulin hydrochloride
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 2 USD/kilogram
  • Time: 2022/12/02
Inquire
  • Products:We ZERchem, facing global High-tech pharmaceutical raw materials, high value-added new type intermediates fine chemicals custom synthesis, scale-up production and rare chemicals trade.
  • Tel:+86-571-82512721
  • Email:sales@zeerrui.com
Valnemulin Hydrochloride manufacture
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2022/12/02
Inquire
9. Realated Product Infomation