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| CAS Number | 220127-57-1 |
| Catalog Number | AG00350I(AGN-PC-0JLOJX) |
| Chemical Name | Imatinib mesylate |
| EC Number | 606-892-3 |
| IUPAC Name | methanesulfonic acid;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide |
| InChI | InChI=1S/C29H31N7O.CH4O3S/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36;1-5(2,3)4/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34);1H3,(H,2,3,4) |
| InChI Key | YLMAHDNUQAMNNX-UHFFFAOYSA-N |
| MDL Number | MFCD04307699 |
| Molecular Formula | C30H35N7O4S |
| Molecular Weight | 589.7084 |
| NSC Number | 716051 |
| SMILES | CS(=O)(=O)O.CC1=C(C=C(C=C1)NC(C1=CC=C(C=C1)CN1CCN(CC1)C)=O)NC1=NC=CC(=N1)C=1C=NC=CC1 |
| UNII | 8A1O1M485B |
| Synonyms | alpha-(4-methyl-1-piperazinyl)-3'-((4-(3-pyridyl)-2-pyrimidinyl)amino)-p-tolu-p-toluidide,
CGP 57148,
CGP-57148,
CGP57148,
CGP57148B,
Gleevec,
Glivec,
imatinib,
imatinib mesylate,
imatinib methanesulfonate,
Mesylate, Imatinib,
Methanesulfonate, Imatinib,
ST 1571,
ST1571,
STI 571,
STI-571,
STI571,
Imatinib mesylate,
220127-57-1,
Gleevec,
Glivec,
Imatinib mesilate,
Imatinib Mesylate (STI571),
imatinib methanesulfonate,
sti-571,
Imatinib (mesylate),
CGP-57148B,
imatinib monomesylate,
ST-1571 Mesylate,
4-[(4-Methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-benzamide monomethanesulfonate,
CGP 57148B,
UNII-8A1O1M485B,
Imatinib, methanesulfonate salt,
CHEBI:31690,
HSDB 7142,
8A1O1M485B,
NSC-716051,
AK-44930,
STI 571,
Imatinib mesylate, 98%,
Imatinib mesylate (USAN),
Imatinib mesylate [USAN],
DSSTox_CID_20502,
DSSTox_RID_79501,
DSSTox_GSID_40502,
N-(4-methyl-3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)phenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide methanesulfonate,
Q-201232,
C30H35N7O4S,
4-[(4-methyl-1-piperazinyl)methyl]-n-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-phenyl]benzamide methanesulfonate,
4-[(4-methyl-1-piperazinyl)methyl]-n-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide methanesulfonate,
Benzamide, 4-((4-methyl-1-piperazinyl)methyl)-N-(4-methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)phenyl)-, monomethanesulfonate,
methanesulfonic acid; 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide,
CAS-220127-57-1,
CGP-57148,
NCGC00159456-02,
Gleevac,
Shantinib,
ImatinibMesylate,
Imatinib-Mesylate,
Imatinib mesylate;,
methanesulfonic acid; 4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide,
Gleevec (TN),
Imatinib(free base),
Glivec (TN),
PubChem18211,
PubChem19416,
Imatinib mesilate (JAN),
imatinib mesylate mesylate,
AC1L3WY1,
SCHEMBL8217,
Gleevec (Imatinib mesylate),
Imatinib monomethanesulfonate,
CHEMBL1642,
Benzamide,monomethanesulfonate,
MLS001401456,
C29H31N7O.CH4SO3,
DTXSID9040502,
AOB6752,
CGP-571,
EX-A954,
QTI-571,
SYN1046,
YLMAHDNUQAMNNX-UHFFFAOYSA-N,
BCPP000204,
GGP-57148B,
HMS2052B09,
HMS2233D16,
HMS3265E01,
HMS3265E02,
HMS3265F01,
HMS3265F02,
HMS3372O12,
HMS3394B09,
HMS3654C07,
ACT05102,
BCP01255,
EBD22648,
KS-000002AE,
Tox21_111684,
ABP000865,
AC-525,
CGP 53715,
CI0026,
FC0015,
MFCD04307699,
NSC716051,
RS0020,
s1026,
AKOS015852497,
Tox21_111684_1,
AN-5298,
BCP9000776,
CCG-101175,
KS-1236,
NC00425,
TRA0018756,
NCGC00159456-11,
111GE005,
BC215795,
CPD000469175,
HY-50946,
LS-27113,
SAM001246622,
SMR000469175,
SY013513,
AB0005762,
AB1008575,
ST2413118,
TL8001825,
TL8006192,
AM20080900,
FT-0080060,
FT-0601612,
I0936,
SW197805-4,
EC-000.2338,
MFCD04307699 (95%),
A-2359,
D01441,
J10205,
45150-EP2270008A1,
45150-EP2277867A2,
45150-EP2280003A2,
45150-EP2289893A1,
45150-EP2292617A1,
45150-EP2298768A1,
45150-EP2305682A1,
45150-EP2308861A1,
45150-EP2308879A1,
45150-EP2311821A1,
127I571,
A809313,
A815828,
I06-0363,
J-523068,
Imatinib Mesylate,Gleevec,Glivec,CGP-57148B,STI-571,
Imatinib Mesylate/Gleevec, Glivec, CGP-57148B, STI-571,
4-(4-Methyl-piperazin-1-ylmethyl)-N-[4-methyl-3-(4-pyridin- 3-yl)-pyrimidin-2-ylamino)-phenyl]-benzamidemethanesulfonic acid salt,
4-(4-Methyl-piperazin-1-ylmethyl)-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamide methanesulfonic acid salt,
4-[(4-Methyl-1-piperazinyl)-methyl]-N-{4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]-amino]-phenyl}-benzamide monomethanesulphonate,
4-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide methanesulfonate,
4-[(4-Methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl) amino]phenyl]benzamide methanesulfonate,
4-[(4-methylpiperazin-1-yl)methyl]-N-{4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl}benzamide methanesulfonate,
Benzamide, 4-((4-methyl-1-piperazinyl)methyl)-N-(4-methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)phenyl)-monomethanesulfonate,
Benzamide, 4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-, methanesulfonate (1:1),
methanesulfonic acid; 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide,
methanesulfonic acid;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide,
N-(4-methyl-3(4-(pyridin-3-yl)pyridin-2-ylamino)phenyl-4-((4-methylpiperazin-1-yl)methyl)benzamide,
N-(4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide methanesulfonate,
Imatinib,
Imatinib Methansulfonate,
Imatinib Mesylate/Glivec,
STI571,
D0Z6KI,
cc-159,
220127-57-1 (mesylate),
CID123596,
ACN-034468,
CS-0027,
152459-95-5,
Imatinib mesylate, 98% - 250MG 250mg,
A10468,
Imatinib Mesylate Multi-target kinase inhibitor of abl, c-kit, and PDGFR,
;4-[(4-Methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide methanesulfonate,
|
| Complexity | 799 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 589.247g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 42 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 589.715g/mol |
| Monoisotopic Mass | 589.247g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 149A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Symbol: | |
| Hazard Class | |
| Hazard statements | H302-H315-H319-H332-H335 |
| Packing Group | |
| Precautionary statements | P261-P280-P305+P351+P338 |
| UN Code |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
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