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85622-95-3

85622-95-3 structure
85622-95-3 structure

Name 3-(2-chloroethyl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
Synonyms Azolastone
Mitozolamide
Mitozolomide
Density 1.94g/cm3
Boiling Point 555.8ºC at 760 mmHg
Molecular Formula C7H7ClN6O2
Molecular Weight 242.62200
Flash Point 289.9ºC
Exact Mass 242.03200
PSA 108.17000
Index of Refraction 1.834

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NJ5927000
CHEMICAL NAME :
Imidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxamide, 3-(2-chloroethyl)-3,4-dihydro-4-oxo-
CAS REGISTRY NUMBER :
85622-95-3
LAST UPDATED :
199612
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C7-H7-Cl-N6-O2
MOLECULAR WEIGHT :
242.65

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human
DOSE/DURATION :
3108 ug/kg
TOXIC EFFECTS :
Gastrointestinal - nausea or vomiting Blood - changes in bone marrow (not otherwise specified)
TYPE OF TEST :
LD10 - Lethal Dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
45 mg/kg
TOXIC EFFECTS :
Blood - changes in cell count (unspecified) Blood - changes in bone marrow (not otherwise specified) Tumorigenic - active as anti-cancer agent
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
40 mg/kg
SEX/DURATION :
male 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count)

MUTATION DATA

TYPE OF TEST :
DNA damage
TEST SYSTEM :
Rodent - mouse Leukocyte
DOSE/DURATION :
50 umol/L
REFERENCE :
CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 44,1767,1984

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85622-95-3 structure

85622-95-3

Literature: US2012/283280 A1, ; Page/Page column 6-7 ;

~95%

85622-95-3 structure

85622-95-3

Literature: Stevens, Malcolm F. G.; Hickman, John A.; Stone, Robert; Gibson, Neil W.; Baig, Ghouse Unissa; et al. Journal of Medicinal Chemistry, 1984 , vol. 27, # 2 p. 196 - 201

~72%

85622-95-3 structure

85622-95-3

Literature: Wang, Yongfeng; Wheelhouse, Richard T.; Zhao, Linxiang; Langnel, David A. F.; Stevens, Malcolm F. G. Journal of the Chemical Society - Perkin Transactions 1, 1998 , # 10 p. 1669 - 1675

~94%

85622-95-3 structure

85622-95-3

Literature: Lowe, Philip R.; Schwalbe, Carl H.; Stevens, Malcolm F.G. Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1985 , p. 357 - 362