Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Food Additives  /  Pharmaceutical Intermediates  /  Organic Intermediate  /  Pharmaceutical  /  Others
Carbamic acid,(4-cyanodecahydro-4,4a,7,9-tetrahydroxy-2-methyl-2H-pyrano[2,3-b][1,4]benzodioxin-6,8-diyl)bis[methyl-,bis(phenylmethyl) ester, [2R-(2a,4b,4ab,5ab,6b,7b,8b,9a,9aa,10ab)]- (9CI) structure
Carbamic acid,(4-cyanodecahydro-4,4a,7,9-tetrahydroxy-2-methyl-2H-pyrano[2,3-b][1,4]benzodioxin-6,8-diyl)bis[methyl-,bis(phenylmethyl) ester, [2R-(2a,4b,4ab,5ab,6b,7b,8b,9a,9aa,10ab)]- (9CI) structure

Carbamic acid,(4-cyanodecahydro-4,4a,7,9-tetrahydroxy-2-methyl-2H-pyrano[2,3-b][1,4]benzodioxin-6,8-diyl)bis[methyl-,bis(phenylmethyl) ester, [2R-(2a,4b,4ab,5ab,6b,7b,8b,9a,9aa,10ab)]- (9CI)

Iupac Name:7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione;pyridine-3-carboxylic acid
CAS No.:437-74-1
Molecular Weight:434.453
1. Names and Identifiers
1.1 Name
Carbamic acid,(4-cyanodecahydro-4,4a,7,9-tetrahydroxy-2-methyl-2H-pyrano[2,3-b][1,4]benzodioxin-6,8-diyl)bis[methyl-,bis(phenylmethyl) ester, [2R-(2a,4b,4ab,5ab,6b,7b,8b,9a,9aa,10ab)]- (9CI)
1.2 Synonyms

2H-Pyrano[2,3-b][1,4]benzodioxin,carbamic acid deriv.

1.3 CAS No.
437-74-1
1.4 CID
9912
1.5 Molecular Formula
C27H44O4 (isomer)
1.6 Inchi
InChI=1S/C13H21N5O4.C6H5NO2/c1-15(4-5-19)6-9(20)7-18-8-14-11-10(18)12(21)17(3)13(22)16(11)2;8-6(9)5-2-1-3-7-4-5/h8-9,19-20H,4-7H2,1-3H3;1-4H,(H,8,9)
1.7 InChkey
GEPMAHVDJHFBJI-UHFFFAOYSA-N
1.8 Canonical Smiles
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(C)CCO)O.C1=CC(=CN=C1)C(=O)O
1.9 Isomers Smiles
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(C)CCO)O.C1=CC(=CN=C1)C(=O)O
2. 3D Conformer
3. Properties
3.1 Density
1.235
3.2 Melting Point
180-184°C
3.3 Boiling Point
459.3°C at 760 mmHg
3.4 Vapour
9.89E-15mmHg at 25°C
4. Safety and Handling
4.1 HazardClass
IRRITANT
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

6. Computational chemical data
  • Molecular Weight:434.453g/mol
  • Molecular Formula:C27H44O4
  • Compound Is Canonicalized:True
  • Exact Mass:434.191
  • Monoisotopic Mass:434.191
  • Complexity:548
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:9
  • Topological Polar Surface Area:152A^2
  • Heavy Atom Count:31
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADceB7uAAAAAAAAAAAAAAAAAAAAWAAAAAsWAAAAAAAAFgB4AAAHgAACAAADBzhngY/uJcMEgCo Azf3fACCgC03EqAJ2CG4fNiKfvrA3bGUcYhuxyPY2eaYEQIMAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
7. Similar Structures Products
8. Recommended Suppliers
Global84SuppliersView all >>
  • Products:Pharmaceutical raw materials,Chemical reagent, Food aditives,Plant ExtracPharmaceutical and pesticide intermediates.
  • Tel:86-431-81915458
  • Email:cathytan@jltely.com
xanthinol nicotinate
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Gram
  • Time: 2020/11/27
Inquire
  • Products:API
  • Tel:0086-27-59207850
  • Email:info@fortunachem.com
Factory high quality Xanthinol nicotinate Cas 437-74-1 with favorable price and good service
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 128 USD/Kilogram
  • Time: 2020/01/07
Inquire
  • Products:Chemical products
  • Tel:86-571-88938639
  • Email:sales-gc@chinadayangchem.com
Xantinol nicotinate
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 3 USD/Kilogram
  • Time: 2019/12/20
Inquire
  • Products:Veterinary products,Nutrition products,Agrochemicals,Active pharmaceutical Ingredients,Custom systhesis,Contract manufacturing
  • Tel:86-571-85829152
  • Email:market@royalpharms.com
Xanthinol nicotinate
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 100 USD/Kilogram
  • Time: 2019/12/06
Inquire
  • Products:o-Phthalaldehyde, Methoxyammonium chloride
  • Tel:86-592-5360779
  • Email:sales@luyunjiachem.com
Xanthinol nicotinate
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2021/04/25
Inquire