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Home> Hot Product Listed 3   > (3beta,5alpha,16beta)-3-hydroxy-16,21-epoxypregn-17-ene-11,21-dione
4559-86-8 structure

(3beta,5alpha,16beta)-3-hydroxy-16,21-epoxypregn-17-ene-11,21-dione

Iupac Name:1,1,3,3-tetrabutylurea
CAS No.:4559-86-8
Molecular Weight:284.488
Molecular Formula:C10H6F2 (isomer)
Names and Identifiers
Synonyms

3beta,16beta-dihydroxy-11-oxo-5alpha-pregn-17(20)-en-21-oic acid gamma-lactone 5.alpha.-pregn-17(20)-en-21-oic acid,16.beta.-dihydroxy-11-oxo-, .gamma.-lactone 5.alpha.-pregn-17(20)-en-21-oic acid,16.beta.-dihydroxy-11-oxo-,-lactone 5-alpha-pregn-17(20)-en-21-oic acid, 3-beta,16-beta-dihydroxy-11-oxo-, gamma-lactone 5alpha-pregn-17(20)-en-21-oic acid, 3beta,16beta-dihydroxy-11-oxo-, gamma-lactone (8ci) AC1L43PJ nsc66816 PL013006 pregn-17(20)-en-21-oic acid, 3,16-dihydroxy-11-oxo-, gamma-lactone, (3-beta,5-alpha,16-beta)- pregn-17(20)-en-21-oic acid, 3,16-dihydroxy-11-oxo-, gamma-lactone, (3beta,5alpha,16beta)- pregn-17(20)-en-21-oic acid, 3,16-dihydroxy-11-oxo-, gamma-lactone, (3beta,5alpha,16beta)- (9ci) u 18317

Inchi
InChI=1S/C17H36N2O/c1-5-9-13-18(14-10-6-2)17(20)19(15-11-7-3)16-12-8-4/h5-16H2,1-4H3
InChkey
SNDGLCYYBKJSOT-UHFFFAOYSA-N
Canonical Smiles
CCCCN(CCCC)C(=O)N(CCCC)CCCC
Properties
Melting Point
<-50°C
Refractive Index
1.462
Flash Point
°C
Safety and Handling
Safety Statements
22-24/25
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT 100_1000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
Jobachem GmbH 2013
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H411 Toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P273 Avoid release to the environment.

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

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:284.488g/mol
  • Molecular Formula:C10H6F2
  • Compound Is Canonicalized:True
  • Exact Mass:284.283
  • Monoisotopic Mass:284.283
  • Complexity:193
  • Rotatable Bond Count:12
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:23.6A^2
  • Heavy Atom Count:20
  • 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
  • CACTVS Substructure Key Fingerprint: AAADcfB7IAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAAAAAACADBAAQDAAMAAAAI AAAAEAAAAAAAAAAAAAAIAACAAAAAgAAEAAAIBgKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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