C5H6N4OS
170.2 g/mol
APIDanger
6-MERCAPTOPURINE MONOHYDRATE
CAS6112-76-1
Category
API
Compound Class
Heterocycle
Primary Use
Pharmaceutical Raw Material
6-Mercaptopurine monohydrate is a crystalline form of the active pharmaceutical ingredient 6-mercaptopurine, which is used in pharmaceutical manufacturing. Its crystal and molecular structure was determined by X-ray diffraction studies.
Content scope: Information here supports chemical identification and industrial supply, research, and manufacturing contexts. It is not a therapeutic claim, medical advice, or drug-use instructions.
Restricted or banned substances
Substances on this list are banned or restricted under the named regulation. This page is a compliance reference — verify your obligations under applicable law.
Relevant lists:California Proposition 65
CAS 6112-76-1
Related Compounds
StrongSame Parent
Mercaptopurine
CAS50-44-2
pharmaceutical raw material
ReferenceSame Category
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pharmaceutical raw material
ReferenceSame Category
Quinine hydrochloride dihydrate
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pharmaceutical raw material
ReferenceSame Category
Quinine sulfate dihydrate
CAS6119-70-6
pharmaceutical raw material
ReferenceSame Category
Perindopril arginine
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pharmaceutical raw material
Safety Reference
Danger
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
H341Suspected of causing genetic defects
H360May damage fertility or the unborn child
H361Suspected of damaging fertility or the unborn child
Regulatory Compliance1
- California Proposition 65USRegulation
Customs Tariff Classification
The international HS code for 6-MERCAPTOPURINE MONOHYDRATE (CAS 6112-76-1) is 2933.59.
HS code (international, 6-digit)
2933.59
EU CN code (8-digit)
2933 59 95
Classification per the EU customs inventory ECICS (2026-07 snapshot, HS 2022). National tariff lines and product form can affect the final classification.
Identifiers
IUPAC Name
3,7-dihydropurine-6-thione;hydrate
InChIKey
WFFQYWAAEWLHJC-UHFFFAOYSA-N
SMILES
C1=NC2=C(N1)C(=S)N=CN2.O
Synonyms (45)
- Mercaptopurine (USP)
- Mercaptopurine impurity standard, British Pharmacopoeia (BP)
- Mercaptopurine, British Pharmacopoeia (BP)
- Mercaptopurine, United States Pharmacopeia (USP)
- 6-MERCAPTOPURINE MONOHYDRATE
- 6-Mercaptopurine hydrate
- 6-Merkaptopurin, monohydrat
- 6-PURINETHIOL MONOHYDRATE
- 6-mercaptopurin-mono-hydrat
- 6112-76-1 (hydrate)
- 6H-Purin-6-thion, monohydrat
- 7H-PURINE-6-THIOL MONOHYDRATE
- 7H-purine-6-thiol hydrate
- 9H-purine-6-thiol hydrate
- MERCAPTOPURINE [MART.]
- Mercaptopurin Monohydrat
- Mercaptopurine Monohydrate
- Mercaptopurine hydrate
- Mercaptopurine hydrate (JP18)
- Purin-6-thiol, monohydrat
- Purine-6-thiol monohydrate
- Purinethol (TN)
- Purixan (TN)
- purine-6-thiol, hydrate
- purine-6-thiol, oxamethane