Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Central Nervous System Agents  /  Pharmaceutical Intermediates  /  Pharmaceutical  /  Organic Intermediate  /  Others
T6628422 structure
T6628422 structure

T6628422

Iupac Name:(4S)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
CAS No.:139264-17-8
Molecular Weight:287.363
1. Names and Identifiers
1.1 Name
T6628422
1.2 Synonyms

3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-[6-(piperidin-1-yl)pyridin-3-yl]urea MCULE-8154454244 MOLPORT-009-558-222 Z489268984 ZINC48273672

1.3 CAS No.
139264-17-8
1.4 CID
60857
1.5 Molecular Formula
C19H22N2O4 (isomer)
1.6 Inchi
InChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1
1.7 InChkey
ULSDMUVEXKOYBU-ZDUSSCGKSA-N
1.8 Canonical Smiles
CN(C)CCC1=CNC2=C1C=C(C=C2)CC3COC(=O)N3
1.9 Isomers Smiles
CN(C)CCC1=CNC2=C1C=C(C=C2)C[C@H]3COC(=O)N3
2. Properties
3.1 Melting point
136-141℃
3.1 Refractive index
1.619
3.1 Vapour pressure
1.03E-12mmHg at 25°C
3.1 Precise Quality
287.16300
3.1 PSA
57.36000
3.1 logP
2.25170
3. Safety and Handling
4.1 Risk Statements
R36/37/38
4.1 Safety Statements
S26;S36
4.1 RIDADR
NONH for all modes of transport
4.1 WGK Germany
3
4.1 RTECS
RQ2707000
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

Response

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

P330 Rinse mouth.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight:287.363g/mol
  • Molecular Formula:C19H22N2O4
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.2
  • Exact Mass:287.16337692
  • Monoisotopic Mass:287.16337692
  • Complexity:375
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:57.4
  • Heavy Atom Count:21
  • 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
6. Recommended Suppliers
Global294SuppliersView all >>
  • Products:Pharmaceutical raw materials,Chemical reagent, Food aditives,Plant ExtracPharmaceutical and pesticide intermediates.
  • Tel:86-431-81915458
  • Email:cathytan@jltely.com
Zolmitriptan
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/gram
  • Time: 2022/05/27
Inquire
  • Products:Chemicals,Drugs ,Blotter ,Pill,Raw...
  • Tel:1-0-3137823697
  • Email:SROOCHEM@protonmail.com
Zolmitriptan High quality Snow Privacy pharmacy Drugs Safe shipping
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 280 USD/gram
  • Time: 2022/05/23
Inquire
  • Products:Cangzhou Enke Pharma-tech Co.,Ltd (China) is a leading manufacturer of innovative chemistry products and services throughout the pharmaceutical R&D process and commercial production.
  • Tel:0086-317-5296180
  • Email:sale@enkepharma.com
Zolmitriptan
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 111 USD/kilogram
  • Time: 2022/04/29
Inquire
  • Products:Veterinary products,Nutrition products,Agrochemicals,Active pharmaceutical Ingredients,Custom systhesis,Contract manufacturing
  • Tel:86-571-85829052
  • Email:market@royalpharms.com
Zolmitriptan
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 11 USD/kilogram
  • Time: 2022/05/13
Inquire
  • Products:Division I, the main production Lead acetate phenylacetamide Cyromazine quality is very good!
  • Tel:86-311-66561638
  • Email:xing@yan-xi.com
Zolmitriptan
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/kilogram
  • Time: 2022/05/26
Inquire