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Home> Encyclopedia > Hot Product Listed 6   > 6H-Purin-6-one,2-amino-1,9-dihydro-9-[(1R,4S)-4-(hydroxymethyl)-2-cyclopenten-1-yl]-
400607-04-7 structure

6H-Purin-6-one,2-amino-1,9-dihydro-9-[(1R,4S)-4-(hydroxymethyl)-2-cyclopenten-1-yl]-

Iupac Name:9-bromo-10-naphthalen-1-ylanthracene
CAS No.:400607-04-7
Molecular Weight:383.288
Molecular Formula:C11H14BRN5O3 (isomer)
Names and Identifiers
Synonyms

(-)-carbovir (-)-cbv (-)-c-d4g (+/-)-carbovir (+/-)-c-d4g (+/-)-cis-2-amino-1,9-dihydro-9-[4-(hydroxymethyl)-2-cyclopenten-1-yl)-6h-purin-6-one (1r,4s)-9-(4-hydroxymethyl-2-cyclopentenyl)guanine (1r-cis)-2-amino-1,9-dihydro-9-(4-(hydroxymethyl)-2-cyclopenten-1-yl)-6h-purin-6-one 2-amino-9-[(1r,4s)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1,9-dihydro-6h-purin-6-one 2-amino-9-[(1r,4s)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1h-purin-6-one 2-amino-9-[(1r,4s)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3h-purin-6-one 2-amino-9-[(1r,4s)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-9h-purin-6-ol 51560211J4 6h-purin-6-one, 2-amino-1,9-dihydro-9-((1r,4s)-4-(hydroxymethyl)-2-cyclopenten-1-yl)- 6h-purin-6-one, 2-amino-1,9-dihydro-9-(4-(hydroxymethyl)-2-cyclopenten-1-yl)-, (1r-cis)- 6h-purin-6-one, 2-amino-1,9-dihydro-9-[(1r,4s)-4-(hydroxymethyl)-2-cyclopenten-1-yl]- 6H-Purin-6-one,2-amino-1,9-dihydro-9-[4-(hydroxymethyl)-2-cyclopenten-1-yl]-, (1R-cis)- AC1L22DE AC1Q6IA0 AN-16634 carbovir, (-)- cbv CHEBI:421843 CHEMBL372283 CTK4B1870 DTXSID50152861 gr 90352 HE052717 NU000216 SCHEMBL180360 UNII-05469V2RW8 COMPONENT XSSYCIGJYCVRRK-RQJHMYQMSA-N unii-51560211j4 XSSYCIGJYCVRRK-RQJHMYQMSA-N ZINC1612633

Inchi
InChI=1S/C24H15Br/c25-24-21-13-5-3-11-19(21)23(20-12-4-6-14-22(20)24)18-15-7-9-16-8-1-2-10-17(16)18/h1-15H
InChkey
SYACRXBYRNYMLN-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C2C(=C1)C=CC=C2C3=C4C=CC=CC4=C(C5=CC=CC=C53)Br
Properties
Boiling Point
456°C at 760 mmHg
Refractive Index
1.756
Flash Point
215.9°C
HS Code
2903999090
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:383.288g/mol
  • Molecular Formula:C11H14BRN5O3
  • Compound Is Canonicalized:True
  • Exact Mass:382.036
  • Monoisotopic Mass:382.036
  • Complexity:435
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:0A^2
  • Heavy Atom Count:25
  • 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: AAADccB4AAAAEAAAAAAAAAAAAAAAAAAAAAAwYMGDAAAAAADBVAAAGABAAAABrACAGAAwAMAAAACA AiBCAAACAAAgAAQIiAAAAKgIICKAERCAIAAggAAIihcAgMAOwgACEAAQgACEAAQgACEAAAAAAAAA AA==
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