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| CAS Number | 6112-76-1 |
| Catalog Number | AG003N94(AGN-PC-0ODA1C) |
| Chemical Name | 6-Mercaptopurine monohydrate |
| EC Number | 612-090-4 |
| IUPAC Name | 3,7-dihydropurine-6-thione;hydrate |
| InChI | InChI=1S/C5H4N4S.H2O/c10-5-3-4(7-1-6-3)8-2-9-5;/h1-2H,(H2,6,7,8,9,10);1H2 |
| InChI Key | WFFQYWAAEWLHJC-UHFFFAOYSA-N |
| MDL Number | MFCD03854445 |
| Molecular Formula | C5H6N4OS |
| Molecular Weight | 170.1923 |
| SMILES | SC1=C2NC=NC2=NC=N1.[H]O[H] |
| UN Number | 2811 |
| UNII | E7WED276I5 |
| Synonyms | 1,7-Dihydro-6H-purine-6-thione,
6 Mercaptopurine,
6 Mercaptopurine Monohydrate,
6 Thiohypoxanthine,
6 Thiopurine,
6-Mercaptopurine,
6-Mercaptopurine Monohydrate,
6-Thiohypoxanthine,
6-Thiopurine,
6H-Purine-6-thione, 1,7-dihydro-,
BW 57 323H,
BW 57-323H,
BW 57323H,
Leupurin,
Mecaptopurine Anhydrous,
Mercaptopurina Wellcome,
Mercaptopurine,
Puri-Nethol,
Purimethol,
Purinethol,
6-MERCAPTOPURINE MONOHYDRATE,
6112-76-1,
6-Mercaptopurine hydrate,
Mercaptopurine Monohydrate,
Mercaptopurine hydrate,
6,7-dihydro-3H-purine-6-thione hydrate,
6H-Purine-6-thione, 1,7-dihydro-, monohydrate,
Purine-6-thiol monohydrate,
1,7-Dihydro-6H-purine-6-thione monohydrate,
Purine-6-thiol, monohydrate,
UNII-E7WED276I5,
MFCD03854445,
6-Mercaptopurine (6-MP) Monohydrate,
C5H4N4S.H2O,
CCRIS 5819,
6-PURINETHIOL MONOHYDRATE,
Purin-6-thiol, monohydrat [Czech],
6-Merkaptopurin, monohydrat [Czech],
6H-Purin-6-thion, monohydrat [Czech],
AI3-25013,
E7WED276I5,
CHEBI:31822,
1,7-Dihydro-6H-purin-6-thion, monohydrat [Czech],
1,7-dihydro-6H-purine-6-thione hydrate,
Purinethol (TN),
1,7-dihydro-6H-purine-6-thione--water (1/1),
1H-purine-6(7H)-thione hydrate,
6-Mercaptopurine monohydrate, 99.5+%,
SMR000875320,
Mercaptopurine [USAN],
6-Mercaptopurinemonohydrate,
Purin-6-thiol, monohydrat,
6-Merkaptopurin, monohydrat,
6H-Purin-6-thion, monohydrat,
Purixan (TN),
Mercaptopurine [USP:INN:BAN:JAN],
6-THIOHYPOXANTHINE MONOHYDRATE,
PubChem9255,
Mercaptopurine (USP),
6-Mercaptopurine,(S),
Mercaptopurin Monohydrat,
ACMC-209mpe,
purine-6-thiol, hydrate,
AC1MC4QZ,
1,7-Dihydro-6H-purin-6-thion, monohydrat,
LEUKERIN MONOHYDRATE,
EC 612-090-4,
purine-6-thiol, oxamethane,
6-mercaptopurin-mono-hydrat,
9H-purine-6-thiol hydrate,
AC1Q59DA,
1,7-dihydro-6H-purine-6-thione hydrate (1:1),
6-mercapto-purine monohydrate,
6-mercaptopurine mono-hydrate,
6-Mercaptopurine, monohydrate,
KSC353A1P,
MLS001335961,
MLS001335962,
SCHEMBL141410,
SCHEMBL157654,
Mercaptopurine hydrate (JP17),
CHEMBL1200751,
CTK2F3017,
KS-00000JJQ,
KUC107850AP,
6-mercaptopurine-6-mp-monohydrate,
WFFQYWAAEWLHJC-UHFFFAOYSA-N,
HMS2233O12,
HMS3369M01,
6-Mercaptopurine monohydrate, 98%,
KSC-09-277A,
3,7-dihydropurine-6-thione hydrate,
ANW-33696,
CM-132,
HY-13677A,
s4504,
SBB066294,
AKOS009158932,
AKOS015896904,
AKOS016339563,
AKOS024306763,
AB16826,
AC-4229,
CS-8139,
KS-5286,
LS-1462,
LS40548,
TRA0073673,
3,7-dihydro-6H-purine-6-thione hydrate,
3,7-Dihydro-purine-6-thione Monohydrate,
AK-51739,
BC209127,
SY036772,
DB-003039,
RT-004005,
FT-0621176,
ST50298825,
EN300-61518,
MFCD01461928 (97%),
D00161,
I07-12,
M-2818,
103M236,
112M761,
I07-0012,
Z2569252111,
Mercaptopurine, British Pharmacopoeia (BP) Reference Standard,
Mercaptopurine, United States Pharmacopeia (USP) Reference Standard,
6-MERCAPTOPURINE MONOHYDRATE (SEE ALSO 6-MERCAPTOPURINE, CAS 50-44-2),
Mercaptopurine impurity standard, British Pharmacopoeia (BP) Reference Standard,
Mercaptopurine, Pharmaceutical Secondary Standard; Certified Reference Material,
mercaptopurine,
Purinethol,
6-Purinethiol,
6-Thiohypoxanthine,
6-Mercaptopurine Hydrate,
7H-purine-6-thiol hydrate,
Mercaptopurine [BAN:INN:JAN],
Mercaptopurine Nova Laboratories,
Mercaptopurine (oral suspension),
NSC 755,
C5-H4-N4-S.H2-O,
CID2724350,
A15898,
M-2690,
6-Mercaptopurine monohydrate, 98.5%, a DNA/RNA synthesis inhibitor - 1G 1g,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.19g/mol |
| Monoisotopic Mass | 170.026g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 86.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Symbol: | |
| Hazard Class | 6.1 |
| Hazard statements | H302-H315-H319-H335-H350-H360 |
| Packing Group | Ⅲ |
| Precautionary statements | P261-P305+P351+P338 |
| UN Code | UN 2811 |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
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