Imidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxamide,3-(2-chloroethyl)-3,4-dihydro-4-oxo-

Modify Date: 2024-01-10 19:43:15

Imidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxamide,3-(2-chloroethyl)-3,4-dihydro-4-oxo- structure	Common Name	Imidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxamide,3-(2-chloroethyl)-3,4-dihydro-4-oxo-
	CAS Number	85622-95-3	Molecular Weight	242.62200
	Density	1.94g/cm3	Boiling Point	555.8ºC at 760 mmHg
	Molecular Formula	C₇H₇ClN₆O₂	Melting Point	N/A
	MSDS	N/A	Flash Point	289.9ºC

Name	3-(2-chloroethyl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
Synonym	More Synonyms

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

1-Chloro-2-isoc...

CAS#:1943-83-5

5-Amino-4-imida...

CAS#:360-97-4

Imidazo[5,1-d]-...

CAS#:85622-95-3

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

1-Chloro-2-isoc...

CAS#:1943-83-5

5-Diazoimidazol...

CAS#:7008-85-7

~95%

Imidazo[5,1-d]-...

CAS#: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

5-Amino-1-[N-(2...

CAS#:188612-57-9

~72%

Imidazo[5,1-d]-...

CAS#: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

1-Chloro-2-isoc...

CAS#:1943-83-5

1H-Imidazole-4-...

CAS#:40784-02-9

~94%

Imidazo[5,1-d]-...

CAS#: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

Precursor 5
CAS#:1943-83-5 1-Chloro-2-isoc... CAS#:360-97-4 5-Amino-4-imida... CAS#:7008-85-7 5-Diazoimidazol... CAS#:188612-57-9 5-Amino-1-[N-(2...
CAS#:40784-02-9 1H-Imidazole-4-...
DownStream 9
CAS#:360-97-4 5-Amino-4-imida... CAS#:28177-14-2 1H-Imidazole-4-... CAS#:107-07-3 2-Chloroethanol CAS#:113960-08-0 methyl 3-(2-chl...
CAS#:85622-96-4 8-(N-methyl)mit... CAS#:85623-00-3 8-(N,N-dimethyl... CAS#:78695-87-1 methyl 7-carbam... CAS#:78695-90-6 ethyl 7-carbamo...
CAS#:40784-02-9 1H-Imidazole-4-...