6H-Purin-6-one,2-amino-1,9-dihydro-, 7-oxide

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Names

[ CAS No. ]:
5227-68-9

[ Name ]:
6H-Purin-6-one,2-amino-1,9-dihydro-, 7-oxide

[Synonym ]:
guanine 7-oxide
2-Amino-3,9-dihydro-6H-purin-6-one 7-oxide
2-Amino-1,9-dihydro-6H-purin-6-one 7-oxide
Antibiotic 3780

Chemical & Physical Properties

[ Density]:
2.31g/cm3

[ Boiling Point ]:
603.8ºC at 760mmHg

[ Molecular Formula ]:
C5H5N5O2

[ Molecular Weight ]:
167.12500

[ Flash Point ]:
319ºC

[ Exact Mass ]:
167.04400

[ PSA ]:
113.28000

[ LogP ]:
0.25540

[ Index of Refraction ]:
2.046

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MF8585000
CHEMICAL NAME :
Guanine 7-N-oxide
CAS REGISTRY NUMBER :
5227-68-9
LAST UPDATED :
199712
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C5-H5-N5-O2
MOLECULAR WEIGHT :
167.15
WISWESSER LINE NOTATION :
T56 BM DN FVM INJ DO HZ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
95 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ADTEAS Advances in Teratology. (New York, NY) V.1-5, 1966-72. Discontinued. Volume(issue)/page/year: 3,181,1968
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
40 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JANTAJ Journal of Antibiotics. (Japan Antibiotics Research Assoc., 2-20-8 Kamiosaki, Shinagawa-ku, Tokyo, 141, Japan) V.2-5, 1948-52; V.21- 1968- Volume(issue)/page/year: 38,972,1985 ** TUMORIGENIC DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
390 mg/kg/26W-I
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Tumorigenic - tumors at site of application
REFERENCE :
CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 27,925,1967

Safety Information

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 9-(4-methoxybenzyl)guanine 7-oxide
  • 2-amino-6-[(4-methoxybenzyl)(2-oxo-2-phenylethyl)amino]-5-nitro-4(3H)-pyrimidinone

DownStream

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • 8-methylguanine 7-oxide
  • 6H-Purin-6-one,2-amino-1,9-dihydro-, 3-oxide
  • 6H-Purin-6-one,2-amino-1,9-dihydro-8-methyl-
  • 6H-Purin-6-one,2-amino-1,9-dihydro-8-(2-phenylethyl)-
  • 6H-Purin-6-one,2-amino-1,9-dihydro-9-(2-methylpropyl)-
  • 6H-Purin-6-one,2-amino-1,9-dihydro-9-propyl-
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide
  • N-[3-(Aminooxy)propyl]-N-butyl-1-butanamine