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| CAS Number | 446-86-6 |
| Catalog Number | AG003NXT(AGN-PC-0OAHAL) |
| Chemical Name | Azathioprine |
| EC Number | 207-175-4 |
| IUPAC Name | 6-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine |
| InChI | InChI=1S/C9H7N7O2S/c1-15-4-14-7(16(17)18)9(15)19-8-5-6(11-2-10-5)12-3-13-8/h2-4H,1H3,(H,10,11,12,13) |
| InChI Key | LMEKQMALGUDUQG-UHFFFAOYSA-N |
| MDL Number | MFCD00069203 |
| Molecular Formula | C9H7N7O2S |
| Molecular Weight | 277.2626 |
| SMILES | O=[N+](C1=C(SC2=C3N=CNC3=NC=N2)N(C)C=N1)[O-] |
| UNII | MRK240IY2L |
| Synonyms | Azathioprine,
Azathioprine Sodium,
Azathioprine Sodium Salt,
Azathioprine Sulfate,
Azothioprine,
Immuran,
Imuran,
Imurel,
Sodium, Azathioprine,
azathioprine,
446-86-6,
Azothioprine,
Imuran,
Azathioprin,
Azatioprin,
Azamun,
Azanin,
Imurel,
Azathiopurine,
Ccucol,
Imurek,
Muran,
Azasan,
Azamun [Czech],
BW 57-322,
BW-57-322,
NCI-C03474,
NSC-39084,
6-(1-Methyl-4-nitroimidazol-5-yl)thiopurine,
Azathioprinum [INN-Latin],
Azatioprina [INN-Spanish],
Imuran (TN),
6-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-7H-purine,
NSC 39084,
6-(1-Methyl-p-nitro-5-imidazolyl)-thiopurine,
Methylnitroimidazolylmercaptopurine,
UNII-MRK240IY2L,
CCRIS 62,
C9H7N7O2S,
6-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)-1H-purine,
6-((1-Methyl-4-nitroimidazol-5-yl)thio)purine,
Azathioprine (Azasan, Imuran),
1H-Purine, 6-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-,
Purine, 6-(1-methyl-4-nitro-5-imidazolylthio)-,
HSDB 7084,
6-(1'-Methyl-4'-nitro-5'-imidazolyl)-mercaptopurine,
6-(Methyl-p-nitro-5-imidazolyl)-thiopurine,
EINECS 207-175-4,
1H-Purine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-,
MFCD00069203,
6-1'-Methyl,4'-nitro,5'-imidazolyl mercaptopurine,
MRK240IY2L,
6-(1-Methyl-4-nitroimidazol-5-ylthio)purin [Czech],
BW 57322,
AI3-50290,
6-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)-9H-purine,
CHEBI:2948,
B. W. 57-322,
LMEKQMALGUDUQG-UHFFFAOYSA-N,
NSC39084,
6-(1'-Methyl-4'-nitro-5'-imidazolyl)mercaptopurine,
Purine, 6-((1-methyl-4-nitroimidazol-5-yl)thio)-,
6-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine,
6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-1H-Purine,
6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-7H-purine,
6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-9H-purine,
NCGC00015060-06,
NCGC00015060-14,
Azatioprina,
Cytostatics,
CAS-446-86-6,
Immuran,
DSSTox_CID_119,
6-[(1-Methyl-4-nitroimidazol-5-yl)thio]purine,
DSSTox_RID_75381,
DSSTox_GSID_20119,
6-((1-methyl-4-nitro-1H-imidazol-5-yl)thio)-7H-purine,
Azamune,
azatiopr in,
Azasan (TN),
SR-01000075537,
Azathioprine [USAN:INN:BAN:JAN],
Purine, 6-[(1-methyl-4-nitroimidazol-5-yl)thio]-,
6-(1-methyl-4-nitro-1H-imidazol-5-ylthio)-9H-purine,
azanine,
Azothioprin,
Azoran,
6-(1-Methyl-4-nitroimidazol-5-ylthio)purin,
Prestwick_41,
Azathiopurine,(S),
Azathioprine(Azasan),
[Methyl(nitroimidazolyl)mercaptopurine],
PubChem9256,
Azathioprine [USAN:USP:INN:BAN:JAN],
Spectrum_000064,
Azathioprine, >=98%,
6-(Methyl-p-nitro-5-imidazolyl)thiopurine,
AC1L1DAL,
Prestwick0_000094,
Prestwick1_000094,
Prestwick2_000094,
Prestwick3_000094,
Spectrum2_000068,
Spectrum3_000308,
Spectrum4_000243,
Spectrum5_000848,
Lopac-A-4638,
Azasan, Imuran and others,
ChemDiv1_002659,
6-(1-Methyl-p-nitro-5-imidazolyl)thiopurine,
A 4638,
Thiopurine 6-(1-methyl-4-nitroimidazol-5-yl),
AC1Q3Z1F,
SCHEMBL4278,
CHEMBL1542,
Lopac0_000027,
Oprea1_375441,
Oprea1_533384,
Oprea1_633462,
Azathioprine(Azasan, Imuran),
BSPBio_000048,
BSPBio_001876,
CBDivE_013132,
KBioGR_000646,
KBioGR_002427,
KBioSS_000464,
KBioSS_002433,
6-[(1-Methyl-4-nitroimidazol-5-yl)-thio] purine,
MLS001049307,
DivK1c_000586,
SPECTRUM1500133,
SPBio_000255,
SPBio_001987,
BPBio1_000054,
GTPL7120,
DTXSID4020119,
Azathioprine (JP17/USP/INN),
HMS501N08,
HMS594I19,
KBio1_000586,
KBio2_000464,
KBio2_002427,
KBio2_003032,
KBio2_004995,
KBio2_005600,
KBio2_007563,
KBio3_001376,
KBio3_002906,
KS-00000XLZ,
cMAP_000046,
NINDS_000586,
6-({4-nitro-1-methyl-1H-imidazol-5-yl}sulfanyl)-7H-purine,
HMS1568C10,
HMS1920E17,
HMS2091K19,
HMS2095C10,
HMS2802J03,
HMS3259P03,
HMS3260E15,
HMS3655M04,
HMS3712C10,
Pharmakon1600-01500133,
ACT02232,
BCP09492,
HY-B0256,
ZINC4258316,
Tox21_110074,
Tox21_400024,
Tox21_500027,
BDBM50373919,
BG0097,
CCG-16168,
CCG-39877,
GP1145,
LS-123,
NSC755900,
s1721,
STK831906,
AKOS005609209,
AKOS028108935,
Tox21_110074_1,
AC-4230,
API0001569,
CCG-220094,
CS-2241,
DB00993,
KS-1146,
LP00027,
MCULE-8637589610,
NC00614,
NSC-755900,
SDCCGMLS-0065415.P001,
IDI1_000586,
NCGC00015060-01,
NCGC00015060-02,
NCGC00015060-03,
NCGC00015060-04,
NCGC00015060-05,
NCGC00015060-07,
NCGC00015060-08,
NCGC00015060-09,
NCGC00015060-10,
NCGC00015060-11,
NCGC00015060-12,
NCGC00015060-13,
NCGC00015060-15,
NCGC00015060-16,
NCGC00015060-18,
NCGC00015060-19,
NCGC00090836-01,
NCGC00090836-02,
NCGC00090836-03,
NCGC00090836-04,
NCGC00090836-05,
NCGC00090836-06,
NCGC00094593-01,
NCGC00094593-02,
NCGC00094593-03,
NCGC00260712-01,
AJ-49795,
AK-98682,
AN-12213,
CC-24218,
CPD000427366,
L996,
SAM002589938,
SC-04582,
SMR000427366,
6-1'-Methyl,5'-imidazolyl mercaptopurine,
SBI-0050016.P003,
AB0014998,
AB2000247,
6-(1-Methyl-4-nitromidazol-5-ylthio)purine,
AB00443544,
EU-0100027,
FT-0083532,
FT-0602904,
ST24045004,
SW198560-2,
6-(1-Methyl-4-nitroimidazol-5-ylthio)purine,
Azathioprine, meets USP testing specifications,
1767-EP0930075A1,
1767-EP2272822A1,
1767-EP2272825A2,
1767-EP2272827A1,
1767-EP2272832A1,
1767-EP2275420A1,
1767-EP2277865A1,
1767-EP2277876A1,
1767-EP2281815A1,
1767-EP2292227A2,
1767-EP2292614A1,
1767-EP2295409A1,
1767-EP2295412A1,
1767-EP2295413A1,
1767-EP2295426A1,
1767-EP2295427A1,
1767-EP2298743A1,
1767-EP2301933A1,
1767-EP2311827A1,
1767-EP2311837A1,
1767-EP2314590A1,
1767-EP2316834A1,
1767-EP2371811A2,
C06837,
D00238,
AB00443544-03,
AB00443544-11,
AB00443544_12,
AB00443544_13,
Azasan;Imuran;Azamun;BW-57-322;NSC-39084,
055A974,
446A866,
AG-670/36150031,
C-17433,
SR-01000762955,
6-(1-Methyl-4-nitro-5-imidazolythio)-9H-pur-ine,
6-[(1-Methyl-4-nitroimidazol-5-yl)- thio] purine,
SR-01000075537-1,
SR-01000075537-4,
SR-01000762955-2,
BRD-K32821942-001-05-6,
BRD-K32821942-001-10-6,
BRD-K60324116-001-01-5,
WLN: T56 BM DN FN HNJ IS- ET5N CNJ A1 DNW,
Z57063156,
6-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-7H-purine,
6-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-9H-purine,
6-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-9H-purine,
9H-Purine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-,
Azathioprine, European Pharmacopoeia (EP) Reference Standard,
6-[(1-Methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-1H-purine #,
Azathioprine, United States Pharmacopeia (USP) Reference Standard,
Azathioprine, Pharmaceutical Secondary Standard; Certified Reference Material,
Rorasul,
Azathioprinum,
Azathioprine sodium,
azathropine,
Cytostatic Drugs,
Cytostatic Agents,
Azathioprine Sulfate,
Azamun (TN),
Imurel (TN),
Sodium, Azathioprine,
Azathioprine sodium salt,
D07QCE,
Azathioprine (JP15/USP/INN),
Azathioprine, 98% - 1G 1g,
CID2265,
C9-H7-N7-O2-S,
Azathioprine [USAN:BAN:INN:JAN],
CS-T-04478,
A2069,
B1892,
A10107,
6-(1-methyl-4-nitro-5-imidazolyl)mercaptopurine,
AI-981/34845012,
D001379,
D054697,
6-(3-Methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-7H-purine,
9H-Purina, 6-[(1-metil-4-nitro-1H-imidazol-5-il)tio]-,
Azasan, Imuran, Azamun, BW-57-322, NSC-39084, Azathioprine,
ATP,
AZA,
|
| Complexity | 354 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.262g/mol |
| Monoisotopic Mass | 277.038g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 143A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
| Symbol: | |
| Hazard Class | |
| Hazard statements | H302-H315-H319-H335-H350-H360 |
| Packing Group | |
| Precautionary statements | P261-P305+P351+P338 |
| UN Code |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
| Molecular Weight: | ||
| Quantity: |
| Test: | Result: |

