Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Encyclopedia > Hot Product Listed 5   > 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(2Z)-2-(2-furanyl)-2-(methoxyimino)acetyl]a...
5289-74-7 structure

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(2Z)-2-(2-furanyl)-2-(methoxyimino)acetyl]amino]-3-(hydroxymethyl)-8-oxo-,(6R,7R)-

Iupac Name:(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
CAS No.:5289-74-7
Molecular Weight:480.642
Molecular Formula:C12H12N2O2S (isomer)
Names and Identifiers
Synonyms

(6R-(6alpha,7beta(Z)))-7-(2-Furyl(methoxyimino)acetamido)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid (6R,7R)-7-[[(2Z)-2-(2-Furanyl)-2-(MethoxyiMino)acetyl]aMino]-3-(hydroxyMethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid [6R-[6alpha,7beta(Z)]]-7-[2-furyl(methoxyimino)acetamido]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-[[2-furanyl(methoxyimino)acetyl]amino]-3-(hydroxymethyl)-8-oxo-, [6R-[6a,7b(Z)]]- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-[[(2Z)-2-furanyl(methoxyimino)acetyl]amino]-3-(hydroxymethyl)-8-oxo-,(6R,7R)- (9CI) Cefuroxime Sodium EP Impurity A Cefuroxime sodium impurity A Cefuroxime Sodium Impurity A (EP) Einecs 260-086-2

Inchi
InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1
InChkey
NKDFYOWSKOHCCO-YPVLXUMRSA-N
Canonical Smiles
CC12CCC3C(=CC(=O)C4C3(CC(C(C4)O)O)C)C1(CCC2C(C)(C(CCC(C)(C)O)O)O)O
Isomers Smiles
C[C@]12CC[C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)[C@@]1(CC
[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O)O)O
Properties
Melting Point
242-244 °C
Boiling Point
349.2°C at 760 mmHg
Refractive Index
1.596
HS Code
29372900
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
22-24/25-36-26
HazardClass
4.1
PackingGroup
II; III
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

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)

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P273 Avoid release to the environment.

Response

P391 Collect spillage.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:480.642g/mol
  • Molecular Formula:C12H12N2O2S
  • Compound Is Canonicalized:True
  • Exact Mass:480.309
  • Monoisotopic Mass:480.309
  • Complexity:869
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:6
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:138A^2
  • Heavy Atom Count:34
  • Defined Atom Stereocenter Count:10
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcfB4OAAAAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGCAAAAAGgAACAAAD1SggAICAAAAAgCI AqBSAAAAAAAgAAAACAEAAEgBFBIAAQAAUAAEgAAJEQPK7PTPgAAAAAAAAADAAAYAADCAAYAADAAA AA==
Recommended Suppliers
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-27-13407111142
  • Fax:86-27-13407111142
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-21-61124658
  • Fax:86-21-61294103
  • Tel:+86-025-58535435
  • Fax:
  • Tel:86-28-85249238
  • Fax:86-28-85377358
  • Tel:86-312-18103315327
  • Fax:86-312-18103315327
Recommended Suppliers
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-27-13407111142
  • Fax:86-27-13407111142
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-21-61124658
  • Fax:86-21-61294103
  • Tel:+86-025-58535435
  • Fax:
  • Tel:86-28-85249238
  • Fax:86-28-85377358
  • Tel:86-312-18103315327
  • Fax:86-312-18103315327
 
<