Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed P   > Pregna-4,17(20)-dien-21-oicacid, 3,11-dioxo-, methyl ester, (17Z)- (9CI)
1185293-13-3 structure

Pregna-4,17(20)-dien-21-oicacid, 3,11-dioxo-, methyl ester, (17Z)- (9CI)

Iupac Name:1-ethyl-3-methylpyrazol-4-amine;dihydrochloride
CAS No.:1185293-13-3
Molecular Weight:198.091
Molecular Formula: (isomer)
Names and Identifiers
Synonyms

NSC 3352 Pregna-4,17(20)-dien-21-oicacid, 3,11-dioxo-, methyl ester, (Z)- (8CI) U 2726

Inchi
InChI=1S/C6H11N3.2ClH/c1-3-9-4-6(7)5(2)8-9;;/h4H,3,7H2,1-2H3;2*1H
InChkey
BUTOBTHSCSCHMK-UHFFFAOYSA-N
Canonical Smiles
CCN1C=C(C(=N1)C)N.Cl.Cl
Properties
Boiling Point
379°C at 760 mmHg
Flash Point
104.9°C
Computational chemical data
  • Molecular Weight:198.091g/mol
  • Molecular Formula:
  • Compound Is Canonicalized:True
  • Exact Mass:197.049
  • Monoisotopic Mass:197.049
  • Complexity:94.3
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:43.8A^2
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • 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: AAADccBjAAAGAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHAAYAAAACAjBFgQuwJJIAACi ARRnRACQBAAxkgAQWCA4dBgAYIBAwMAUhAhAGADAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:852-852-81916999
  • Fax:
Recommended Suppliers
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:852-852-81916999
  • Fax:
 
<