6-Mercaptopurine Monohydrate

HCID 2724350

Daten werden ergänzt – meist innerhalb einer Minute fertig

Grundinformationen

CAS
6112-76-1
Standard-SMILES
O.S=c1nc[nH]c2nc[nH]c12
InChIKey
WFFQYWAAEWLHJC-UHFFFAOYSA-N
Summenformel
C5H4N4S.H2O
Durchschnittliche Molmasse
170,2 g/mol

Überblick

6-mercaptopurine monohydrate is an odorless light yellow to yellow crystalline powder. Becomes anhydrous at 284 °F. (NTP, 1992)

Namen und Bezeichner

Bevorzugter Name
6-Mercaptopurine Monohydrate
IUPAC
3,7-dihydropurine-6-thione;hydrate

Namen und Synonyme

6-MERCAPTOPURINE MONOHYDRATE6112-76-16-Mercaptopurine hydrateMercaptopurine hydratePurine-6-thiol monohydrate1,7-dihydro-6H-purine-6-thione hydratePurine-6-thiol, monohydrate1,7-Dihydro-6H-purine-6-thione monohydrateCHEBI:318221,7-dihydro-6H-purine-6-thione--water (1/1)RefChem:543506DTXCID605538
Weitere Namen anzeigen
DTXSID9025538NCI-C04886Mercaptopurine Monohydrate7H-purine-6-thiol hydrate6,7-dihydro-3H-purine-6-thione hydrateMFCD038544456-PURINETHIOL MONOHYDRATE6-Mercaptopurine (6-MP) Monohydrate

Datenbank-Bezeichner

CAS
6112-76-1
PubChem CID
2724350
ChEMBL
CHEMBL1200751
ChEBI
CHEBI:31822
UNII
E7WED276I5
EC Number
612-090-4

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

Polarare Oberfläche (TPSA)
86,2 Ų
H-Brücken-Donoren
3
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
0
Schwere Atome
11

Experimentelle und physikochemische Eigenschaften

Solubility · 2 Einträge

less than 1 mg/mL at 70 °F (NTP, 1992)

>25.5 [ug/mL] (The mean of the results at pH 7.4)

Human Drugs · 2 Einträge

Breast Feeding; Lactation; Milk, Human; Antineoplastic Agents; Antimetabolites; Immunosuppressive Agents

EMA approved medicines: Human medicine

Melting Point586 °F (decomposes) (NTP, 1992)
Physical Description6-mercaptopurine monohydrate is an odorless light yellow to yellow crystalline powder. Becomes anhydrous at 284 °F. (NTP, 1992)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (91.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 61 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Hazard Traits - Developmental Toxicity

Status: Active Update: 21-07-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/6028

DOT LabelPoison
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health Hazards · 1 Eintrag

SYMPTOMS: Symptoms following ingestion of this compound include white cell depression, jaundice, nausea, mucosal ulceration, skin rash, and fever. It may cause intestinal ulceration, anorexia, vomiting, diarrhea, sprue-like symptoms, and hyperuricemia. Exposure may also result in bone marrow depression. Chronic exposure may cause congenital malformation in the fetus.

Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile6-MERCAPTOPURINE MONOHYDRATE reacts with strong oxidizing agents, strong bases and strong acids. (NTP, 1992)

Sicherheit und Schutzausrüstung

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 Eintrag

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 Eintrag

SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. You should then dampen the solid spill material with 60-70% methanol, then transfer the dampened material to a suitable container. Use absorbent paper dampened with methanol to pick up any remaining material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent-wash contaminated surfaces with 60-70% methanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Personal Protective Equipment (PPE) · 1 Eintrag

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Toxikologische Informationen

Effects During Pregnancy and Lactation◉ Summary of Use during Lactation

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