Temozolomide

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Names

[ CAS No. ]:
85622-93-1

[ Name ]:
Temozolomide

[Synonym ]:
Imidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxamide, 3,4-dihydro-3-methyl-4-oxo-
Temodal
Temozolamide
3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
TZM
M&B 39831
TEMODAR
Temozolomide
MFCD00866492
temosolomide

Chemical & Physical Properties

[ Density]:
2.0±0.1 g/cm3

[ Boiling Point ]:
526.6±42.0 °C at 760 mmHg

[ Melting Point ]:
212°C dec.

[ Molecular Formula ]:
C6H6N6O2

[ Molecular Weight ]:
194.151

[ Flash Point ]:
272.3±27.9 °C

[ Exact Mass ]:
194.055222

[ PSA ]:
108.17000

[ LogP ]:
-1.32

[ Vapour Pressure ]:
0.0±1.4 mmHg at 25°C

[ Index of Refraction ]:
1.895

[ Storage condition ]:
2-8°C

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NJ5927050
CHEMICAL NAME :
Imidazo(5,1-d)(1,2,3,5)tetrazine-8-carboxamide, 3,4-dihydro-3-methyl-4-oxo-
CAS REGISTRY NUMBER :
85622-93-1
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C6-H6-N6-O2
MOLECULAR WEIGHT :
194.18

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
125 mg/kg
TOXIC EFFECTS :
Tumorigenic - active as anti-cancer agent

MUTATION DATA

TYPE OF TEST :
DNA damage
TEST SYSTEM :
Rodent - mouse Leukocyte
DOSE/DURATION :
100 umol/L
REFERENCE :
CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 47,4884,1987

Safety Information

[ Symbol ]:

GHS07, GHS08

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H302-H315-H319-H335-H350-H360

[ Precautionary Statements ]:
P201-P261-P305 + P351 + P338-P308 + P313

[ Personal Protective Equipment ]:
Eyeshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges

[ Hazard Codes ]:
T: Toxic;Xi: Irritant;

[ Risk Phrases ]:
R45

[ Safety Phrases ]:
S24/25-S45-S36/37-S26-S53

[ RIDADR ]:
NONH for all modes of transport

[ RTECS ]:
NJ5927050

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Methylisocyanate 1 x 500mg neat
  • 5-Diazoimidazole-4-carboxamide
  • 5-amino-1-(N-methylcarbamoyl)imidazole-4-carboxamide
  • 3-(hydroxymethyl)-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
  • methyl iodide
  • 5-Amino-1H-imidazole-4-carboxamide hydrochloride
  • 4-Nitrophenyl chloroformate
  • 5-diazoimidazole-4-carboxiamide

DownStream

  • Temozolomide-8-carboxylic acid

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%

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Related Compounds

  • Temozolomide-d3
  • Temozolomideacid
  • Temozolomide INT
  • cyanotemozolomide
  • TeMozoloMide Metabolite-MTIC
  • TeMozoloMide Related CoMpound A
  • 2-(Cyclohex-1-en-1-yl)-N-((5-methylthiophen-2-yl)methyl)ethan-1-amine
  • (3-Methylbutyl)[(5-methylthiophen-2-yl)methyl]amine
  • (2-Methylbutan-2-yl)[(5-methylthiophen-2-yl)methyl]amine
  • [(3-Bromophenyl)methyl](3-methoxypropyl)amine
  • [(3-Bromophenyl)methyl](3-methylbutyl)amine
  • [(3-Bromophenyl)methyl](2-methylbutan-2-YL)amine
  • [(4-Ethylphenyl)methyl](3-methoxypropyl)amine
  • [(4-Ethylphenyl)methyl](3-methylbutyl)amine
  • [(4-Ethylphenyl)methyl](2-methylbutan-2-YL)amine
  • [(3-Methoxyphenyl)methyl](3-methylbutyl)amine
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