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

Modify Date: 2024-01-08 23:04:48

6H-Purin-6-one,2-amino-1,9-dihydro-, 7-oxide Structure
6H-Purin-6-one,2-amino-1,9-dihydro-, 7-oxide structure
Common Name 6H-Purin-6-one,2-amino-1,9-dihydro-, 7-oxide
CAS Number 5227-68-9 Molecular Weight 167.12500
Density 2.31g/cm3 Boiling Point 603.8ºC at 760mmHg
Molecular Formula C5H5N5O2 Melting Point N/A
MSDS N/A Flash Point 319ºC

 Names

Name Guanine, N-7-oxide
Synonym More Synonyms

 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

~88%

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

6H-Purin-6-one,...

CAS#:5227-68-9

Literature: Nohara, Fujio; Nishii, Masahiro; Ogawa, Kazuo; Isono, Kiyoshi; Ubukata, Makoto; et. al Tetrahedron Letters, 1987 , vol. 28, # 12 p. 1287 - 1290

~66%

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

6H-Purin-6-one,...

CAS#:5227-68-9

Literature: Ogawa; Nishii; Inagaki; Nohara; Saito; Itaya; Fujii Chemical and Pharmaceutical Bulletin, 1992 , vol. 40, # 2 p. 343 - 350

~56%

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

6H-Purin-6-one,...

CAS#:5227-68-9

Literature: Ogawa; Nishii; Inagaki; Nohara; Saito; Itaya; Fujii Chemical and Pharmaceutical Bulletin, 1992 , vol. 40, # 2 p. 343 - 350

~%

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

6H-Purin-6-one,...

CAS#:5227-68-9

Literature: Ogawa; Nishii; Inagaki; Nohara; Saito; Itaya; Fujii Chemical and Pharmaceutical Bulletin, 1992 , vol. 40, # 2 p. 343 - 350

~%

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

6H-Purin-6-one,...

CAS#:5227-68-9

Literature: Ogawa; Nishii; Inagaki; Nohara; Saito; Itaya; Fujii Chemical and Pharmaceutical Bulletin, 1992 , vol. 40, # 2 p. 343 - 350

~%

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

6H-Purin-6-one,...

CAS#:5227-68-9

Literature: Ogawa; Nishii; Inagaki; Nohara; Saito; Itaya; Fujii Chemical and Pharmaceutical Bulletin, 1992 , vol. 40, # 2 p. 343 - 350

 Precursor & DownStream

Precursor  2

DownStream  0

 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%

 Synonyms

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