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Oncology and immunology drugs

Temozolomide

Also known as Methazolastone, Temodar, Temodal

CAS 85622-93-1Formula C6H6N6O2Molar mass 194.15 g/molEC 630-358-9
GHS signal word: Danger. Pictograms: Acute toxicity (severe), Harmful or irritant, Serious health hazard 157 suppliers listed Drug substance
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Temozolomide chemical structure, C6H6N6O2, CAS 85622-93-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
85622-93-1
Formula
C6H6N6O2
Molar mass
194.15 g/mol
EC number
630-358-9
HS code
293399
Category
Oncology and immunology drugs

What is Temozolomide?

Plain description, key identifiers and synonyms

Temozolomide is an imidazotetrazine that is 3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine which is substituted at positions 3, 4, and 8 by methyl, oxo, and carboxamide groups, respectively. A prodrug for MTIC (5-(3-methyltriaz-1-en-1-yl)-1H-imidazole-4-carboxamide, formed by spontaneous hydrolysis of temozolomide in the body), it is used as an oral alkylating agent for the treatment of newly diagnosed malignant glioblastoma multiforme (concomitantly with radiotherapy) and malignant melanoma. It has a role as an alkylating agent, an antineoplastic agent and a prodrug. It is a monocarboxylic acid amide, an imidazotetrazine and a triazene derivative.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
CAS number
85622-93-1 CAS number cross-checked
EC number
630-358-9
Molecular formula
C6H6N6O2
UNII
YF1K15M17Y
MDL number
MFCD00866492
InChIKey
BPEGJWRSRHCHSN-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N6O2/c1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11/h2H,1H3,(H2,7,13)
SMILES (canonical and isomeric)
CN1C(=O)N2C=NC(=C2N=N1)C(=O)N

Synonyms

  • Methazolastone
  • Temodar
  • Temodal
  • 3-methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
  • Temozolamide
  • Sch 52365
  • Temozolomidum
  • temozolomida
  • M&B 39831
  • M&B-39831
  • MB 39831
  • 3,4-dihydro-3-methyl-4-oxoimidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxamide
  • M & B 39831
  • 8-Carbamoyl-3-methylimidazo(5,1-d)-1,2,3,5-tetrazin-4(3H)-one
  • 3,4-Dihydro-3-methyl-4-oxoimidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxamide
  • 3-Methyl-4-oxo-3,4-dihydroimidazo(5,1-d)(1,2,3,5)tetrazine-8-carboxamide
  • 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
  • 3,4-Dihydro-3-methyl-4-oxoimidazo(5,1-d)-as-tetrazine-8-carboxamide
  • Mk-7365
  • 3-methyl-4-oxo-3H,4H-imidazo[4,3-d][1,2,3,5]tetrazine-8-carboxamide
  • 8-Carbamoyl-3-methylimidazo[5,1-d]-1,2,3,5-tetrazin-4(3H)-one
  • temomedac
  • Imidazo(5,1-d)(1,2,3,5)tetrazine-8-carboxamide, 3,4-dihydro-3-methyl-4-oxo-
  • Temcad
  • 3-methyl-4-oxoimidazo(5,1-d)(1,2,3,5)tetrazine-8-carboxamide
Show all 34 synonyms
  • TMZ Bioshuttle
  • 3,4-Dihydro-3-methyl-4-oxoimidazo[5,1-d]-as-tetrazine-8-carboxamide
  • 3-methyl-4-oxo-3H,4H-imidazo(4,3-d)(1,2,3,5)tetrazine-8-carboxamide
  • TMZA-HE
  • M and B 39831
  • M&B39831
  • Imidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxamide, 3, 4-dihydro-3-methyl-4-oxo-
  • CCRG 81045
  • Temozolodida

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
194.15 g/molcalc.
Exact mass
194.0552 Dacalc.
LogP (octanol/water)
-2.08calc.
Topological polar surface area
108.2 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
1calc.
Heavy atoms
14calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.17calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=c1[nH]nnc2cncn12

O=c1[nH]nnc2cncn12

2 rings, 10 atoms, the Imidazo[5,1-d][1,2,3,5]tetrazin-4(1H)-one ring system.

23 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H204Fire or projection hazard.
  • H300Fatal if swallowed.
  • H302Harmful if swallowed.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
  • H340May cause genetic defects.
  • H341Suspected of causing genetic defects.
  • H350May cause cancer.
  • H351Suspected of causing cancer.
  • H360May damage fertility or the unborn child.
  • H372Causes damage to organs through prolonged or repeated exposure.
Precautionary statements (32)
  • P203Obtain, read and follow all safety instructions before use.
  • P210Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.
  • P230Keep wetted with water or another suitable desensitiser.
  • P234Keep only in original packaging.
  • P236Keep only in original packaging, division in transport.
  • P240Ground and bond container and receiving equipment.
  • P250Do not subject to grinding, shock or friction.
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P301 + P317If swallowed: Get medical help.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P318If exposed or concerned, get medical advice.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P370 + P380 + P375In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
  • P401Store in accordance with local regulations.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.
  • P503Refer to manufacturer, supplier or local authority for information on disposal, recovery or recycling.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Temozolomide suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 157 suppliers
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Where suppliers are based

157 suppliers in 26 countries

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Temozolomide price

Indicative price range per kg from live supplier offers

No published prices right now

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Uses and applications

What the substance is used for, by industry and function

Industries and functions

Pharmacological actions

  • Antineoplastic Agents, Alkylating

Roles

  • aetiopathogenetic role
  • alkylating agent
  • antimicrobial agent
  • antineoplastic agent
  • antiviral agent
  • genotoxin
  • mutagen
  • pharmaceutical
  • pro-agent
  • prodrug

Pharmacology

Temozolomide is an Alkylating Drug. The mechanism of action of temozolomide is as an Alkylating Activity.

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • Active ingredient in FDA approved drug labels

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Temozolomide is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Temozolomide is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Temozolomide, based on the data on this page

What is Temozolomide?

Temozolomide is an imidazotetrazine that is 3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine which is substituted at positions 3, 4, and 8 by methyl, oxo, and carboxamide groups, respectively.

What is the CAS number of Temozolomide?

The CAS registry number of Temozolomide is 85622-93-1.

What is the molecular formula and weight of Temozolomide?

The molecular formula of Temozolomide is C6H6N6O2 and its molar mass is 194.15 g/mol.

What is Temozolomide used for?

Known uses and roles of Temozolomide include anticancer drugs in pharmaceuticals, aetiopathogenetic role, alkylating agent, antimicrobial agent, antineoplastic agent and 7 more.

Is Temozolomide hazardous?

Temozolomide carries the GHS signal word "Danger". Main hazards: fire or projection hazard, fatal if swallowed, harmful if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Temozolomide?

Temozolomide is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Temozolomide?

CompoundList lists 157 suppliers of Temozolomide in China, United States, India, Germany and 22 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Temozolomide in India?

17 suppliers in India list Temozolomide on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Temozolomide?

Suppliers quote Temozolomide on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Temozolomide

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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