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Home> Encyclopedia > Hot Product Listed 2   > 2a,3a-Epoxy-16b-(1-pyrrolidinyl)-5a-androstan-17b-ol
21613-86-5 structure

2a,3a-Epoxy-16b-(1-pyrrolidinyl)-5a-androstan-17b-ol

Iupac Name:2-amino-8-(hydroxymethyl)-3,7-dihydropurin-6-one
CAS No.:21613-86-5
Molecular Weight:181.155
Molecular Formula:C10H8CL2O (isomer)
Names and Identifiers
Synonyms

(1R,2S,11R,12S,16S)-2,16-diMethyl-14-(pyrrolidin-1-yl)-5-oxapentacyclo[9.7.0.0^{2,8}.0^{4,6}.0^{12,16}]octadecan-15-ol (2a,3a,5a,16b,17b)-2,3-Epoxy-16-(1-pyrrolidinyl)androstan-17-ol 2,16-dimethyl-14-(pyrrolidin-1-yl)-5-oxapentacyclo[9.7.0.0(2),?.0?,?.0(1)(2),(1)?]octadecan-15-ol 2,3-Epoxy-1H-cyclopenta[a]phenanthrene,androstan-17-ol 2,3-EPOXY-1H-CYCLOPENTA[A]PHENANTHRENE,ANDROSTAN-17-OL DERIV(9CI) 2,3-Epoxy-1H-cyclopenta[a]phenanthrene,androstan-17-ol deriv. 2A,3A-EPOXY-16B-(1-PYRROLIDINYL)-5A-ANDROSTAN-17B-OL 2alpha,3alpha-Epoxy-16beta-(1-pyrrolidinyl)-5alpha-androstan-17beta-ol AN-10473 Androstan-17-ol, 2,3-epoxy-16-(1-pyrrolidinyl) Androstan-17-ol,2,3-epoxy-16-(1-pyrrolidinyl)-, (2alpha,3alpha,5alpha,16beta,17beta)- ANDROSTAN-17-OL,2,3-EPOXY-16-(1-PYRROLIDINYL)-,(2A,3A,5A,16A,17B)-(9CI) PL007074

Inchi
InChI=1S/C6H7N5O2/c7-6-10-4-3(5(13)11-6)8-2(1-12)9-4/h12H,1H2,(H4,7,8,9,10,11,13)
InChkey
SMIUVAGMIHZSBT-UHFFFAOYSA-N
Canonical Smiles
C(C1=NC2=C(N1)C(=O)N=C(N2)N)O
Properties
Density
1.20
Boiling Point
323.1 °C at 760 mmHg
Refractive Index
1.991
Flash Point
262.1 °C at 760 mmHg
HS Code
2933990090
Safety and Handling
Specification

  2alpha,3alpha-Epoxy-16beta-(1-pyrrolidinyl)-5alpha-androstan-17beta-ol (CAS NO.119302-19-1), its Synonyms are (2alpha,3alpha,5alpha,16beta,17beta)-2,3-Epoxy-16-(1-pyrrolidinyl)androstan-17-ol ; Androstan-17-ol, 2,3-epoxy-16-(1-pyrrolidinyl) ; Androstan-17-dol,2,3:16,17-diepoxy-,acetate, (2alpha,3alpha,5alpha,16beta,17beta)—(9CI) .

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

Computational chemical data
  • Molecular Weight:181.155g/mol
  • Molecular Formula:C10H8CL2O
  • Compound Is Canonicalized:True
  • XLogP3-AA:_1.8
  • Exact Mass:181.06
  • Monoisotopic Mass:181.06
  • Complexity:266
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:116A^2
  • Heavy Atom Count:13
  • 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: AAADcYBjsAAAAAAAAAAAAAAAAAAAAWAAAAAgAAAAAAAAAEABgAAAHgAQCAAACAihlwIBsBbJkgCo AQdwdASAgC2HEKABEQGwVECCWAhASCAUAIAIEALQAGAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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