Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Vitamins, Amino Acids and Coenzymes  /  Pharmaceuticals and Biochemicals  /  Pharmaceutical Intermediates  /  Organic Intermediate  /  Pharmaceutical
Bilastine Impurity 19 structure
Bilastine Impurity 19 structure

Bilastine Impurity 19

Iupac Name:(2R,3S,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol;sulfuric acid
CAS No.:64013-70-3
Molecular Weight:680.647
1. Names and Identifiers
1.1 Name
Bilastine Impurity 19
1.2 CAS No.
64013-70-3
1.3 CID
24721551
1.4 Inchi
InChI=1S/C18H36N4O11.2H2O4S/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17;2*1-5(2,3)4/h4-18,23-29H,1-3,19-22H2;2*(H2,1,2,3,4)/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-;;/m1../s1
1.5 InChkey
OGTKIXVMLDAMNU-KNQICTBBSA-N
1.6 Canonical Smiles
C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)O)O)OC3C(C(C(C(O3)CO)O)N)O)N.OS(=O)(=O)O.OS(=O)(=O)O
1.7 Isomers Smiles
C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N.OS(=O)(=O)O.OS(=O)(=O)O
2. 3D Conformer
3. Properties
3.1 Melting Point
>260℃
4. Safety and Handling
4.1 Risk Statements
61
4.2 Safety Statements
Hazard Codes TRisk Statements 61Safety Statements 53-45WGK Germany 3
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Reproductive toxicity, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H360 May damage fertility or the unborn child

Precautionary statement(s)
Prevention

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

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

Response

P308+P313 IF exposed or concerned: Get medical advice/ attention.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

6. Computational chemical data
  • Molecular Weight:680.647g/mol
  • Molecular Formula:
  • Compound Is Canonicalized:True
  • Exact Mass:680.173
  • Monoisotopic Mass:680.173
  • Complexity:720
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:15
  • Hydrogen Bond Acceptor Count:23
  • Topological Polar Surface Area:449A^2
  • Heavy Atom Count:43
  • Defined Atom Stereocenter Count:15
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:3
  • CACTVS Substructure Key Fingerprint: AAADcfB7vgBgAAAAAAAAAAAAAAAAAAAAAAA0SIAAAAAAAAAAAAAAHgAQCAAACDzxgAcACABABoAA AAAAADAAAAAAAAAAAIAAAAATEAIAwAAjQAAHEAAHAAHwcA0AAAAAAAAAAAAAgAAUCACgAAAAAAAA AA==
8. Recommended Suppliers
Global34SuppliersView all >>
  • Products:xylazine hcl,phenacetin,4-Methylpropiophenone,(2-Bromoethyl)benzene,4-Methoxybenzoyl chloride
  • Tel:86-311-18032048384
  • Email:grace@hbyingong.com
Hot Selling Kanamycin Acid Sulphate CAS64013-70-3
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/Gram
  • Time: 2021/07/07
Inquire
  • Products:Manufacture & Supply Biopharm Chemical, Specialty Chemical, PetroChemical.
  • Tel:86-592-8883942
  • Email:sale@amitychem.com
Factory Supply Kanamycin Acid Sulphate
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 0.1 USD/Kilogram
  • Time: 2021/03/09
Inquire
  • Products:pharmaceutical intermediates, biochemistry and customized chemicals, special chemicals, organic and inorganic chemicals, medical devices, electronic chemicals and biological sciences
  • Tel:+86-0592-5567629
High quality Chondroitin 4-Sulfate supplier in China
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Kilogram
  • Time: 2021/07/13
Inquire
  • Products:Pharmaceutical raw material(API), Pharmaceutical Intermediate, optical brightening Agent (Fluorescent Brightener), dyes, pigments
  • Tel:86-571-85232161
Kanamycin Acid sulfate
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2015/12/10
Inquire
  • Tel:156 330 66222
High quality Kanamycin Acid Sulphate supplier in China
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Metric Ton
  • Time: 2019/02/25
Inquire