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Home> Hot Product Listed P   > Pregna-4,17(20)-dien-3-one,21-(acetyloxy)-11-hydroxy-6-methyl-, (6a,11b)- (9CI)
543-24-8 structure

Pregna-4,17(20)-dien-3-one,21-(acetyloxy)-11-hydroxy-6-methyl-, (6a,11b)- (9CI)

Iupac Name:2-acetamidoacetic acid
CAS No.:543-24-8
EINECS(EC#): 238-164-2
Molecular Weight:117.10328
Molecular Formula:C4H11O2P.1/2ZN (isomer)
Names and Identifiers
Synonyms

2-[(1s,2r,8s,10s,11s,14e,15s,17s)-17-hydroxy-2,8,15-trimethyl-5-oxotetracyclo[8.7.0.0(2),?.0(1)(1),(1)?]heptadec-6-en-14-ylidene]ethyl acetate 6alpha-methyl-3-oxopregna-4,17(20)-diene-11beta,21-diol 21-acetate PL007738 Pregna-4,17(20)-dien-3-one,11b,21-dihydroxy-6a-methyl-, 21-acetate(6CI,7CI,8CI) ZINC31350378

Inchi
InChI=1/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)
InChkey
OKJIRPAQVSHGFK-UHFFFAOYSA-N
Canonical Smiles
CC(=O)NCC(=O)O
Properties
Melting Point
207-209℃
HS Code
29241900
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S22;S24/25
Transport
25kgs
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:117.10328g/mol
  • Molecular Formula:C4H11O2P.1/2ZN
  • XLogP3-AA:_1.2
  • Exact Mass:117.042593
  • Monoisotopic Mass:117.042593
  • Complexity:110
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:66.4
  • Heavy Atom Count:8
  • 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:1
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Recommended Suppliers
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  • Fax:0086-27-59524646
  • Tel:86-571-85829152
  • Fax:86-571-85829153
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  • Fax:86-571-86821328
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