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

Modify Date: 2025-08-23 12:20:52

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

 Names

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

 Chemical & Physical Properties

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

 Toxicological Information

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

 Synthetic Route

1-Chloro-2-isocyanatoethane structure

1-Chloro-2-isoc...

CAS#:1943-83-5

5-Amino-4-imidazolecarboxamide structure

5-Amino-4-imida...

CAS#:360-97-4

~%

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

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

CAS#:85622-95-3

Literature: US2012/283280 A1, ; Page/Page column 6-7 ;
1-Chloro-2-isocyanatoethane structure

1-Chloro-2-isoc...

CAS#:1943-83-5

5-Diazoimidazole-4-carboxamide structure

5-Diazoimidazol...

CAS#:7008-85-7

~95%

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

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-chloroethyl)carbamoyl]imidazole-4-carboxamide structure

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

CAS#:188612-57-9

~72%

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

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-isocyanatoethane structure

1-Chloro-2-isoc...

CAS#:1943-83-5

1H-Imidazole-4-carboxamide,5-azido- structure

1H-Imidazole-4-...

CAS#:40784-02-9

~94%

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

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

 Synonyms

Azolastone
Mitozolamide
Mitozolomide
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Chemsrc provides CAS#:85622-95-3 MSDS, density, melting point, boiling point, structure, etc. Its name is Imidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxamide,3-(2-chloroethyl)-3,4-dihydro-4-oxo->> amp version: Imidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxamide,3-(2-chloroethyl)-3,4-dihydro-4-oxo-

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