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| CAS Number | 879085-55-9 |
| Catalog Number | AG003VBU |
| Chemical Name | Vismodegib |
| IUPAC Name | 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide |
| InChI | InChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24) |
| InChI Key | BPQMGSKTAYIVFO-UHFFFAOYSA-N |
| MDL Number | MFCD12407408 |
| Molecular Formula | C19H14Cl2N2O3S |
| Molecular Weight | 421.2971 |
| SMILES | O=C(Nc1ccc(c(c1)c2ncccc2)Cl)c3ccc(cc3Cl)S(=O)(=O)C |
| UNII | 25X868M3DS |
| Synonyms | erivedge,
GDC 0449,
GDC-0449,
GDC0449,
HhAntag691,
NSC 747691,
NSC-747691,
NSC747691,
R 3616,
R-3616,
R3616 cpd,
RG 3616,
RG-3616,
RG3616,
vismodegib,
Vismodegib,
879085-55-9,
GDC-0449,
Erivedge,
2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide,
Vismodegib (GDC-0449),
HhAntag691,
GDC0449,
GDC 0449,
GDC-0449 (Vismodegib),
UNII-25X868M3DS,
CHEMBL473417,
CHEBI:66903,
25X868M3DS,
NSC755986,
AK-77261,
2-Chloro-N-[4-chloro-3-(2-pyridinyl)phenyl]-4-(methylsulfonyl)benzamide,
2-chloro-N-[4-chloro-3-(pyridin-2-yl)phenyl]-4-(methylsulfonyl)benzamide,
C19H14Cl2N2O3S,
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide,
2-chloro-n-(4-chloro-3-(2-pyridinyl)phenyl)-4-(methylsulfonyl)benzamide,
2-chloro-N-(4-chloro-3-pyridin-2-yl-phenyl)-4-methanesulfonyl-benzamide,
2-Chloranyl-~{n}-(4-Chloranyl-3-Pyridin-2-Yl-Phenyl)-4-Methylsulfonyl-Benzamide,
Erivedge (TN),
Vismodegib [USAN:INN],
NSC 747691,
vismodegibum,
HSDB 8130,
R 3616,
NSC747691,
Hh-Antag691,
HhAntag 691,
NSC-747691,
Vismodegib, free base,
RG 3616,
RG-3616,
methanesulfonylbenzamide,
PubChem19137,
GDC-0449,Vismodegib,
Vismodegib (USAN/INN),
GDC-0449(Vismodegib),
Vismodegib; GDC-0449,
R-3616,
GDC-0449 - Selumetinib,
MLS006012035,
SCHEMBL302587,
GTPL6975,
QCR-40,
CTK8B8648,
AOB1040,
CUR-691,
DTXSID40236689,
GDC-449,
BPQMGSKTAYIVFO-UHFFFAOYSA-N,
BCPP000223,
HMS3604K16,
HMS3654E17,
BCP01715,
EX-A2178,
KS-000000BH,
ABP000894,
AN-471,
ANW-60962,
BDBM50249522,
BG0661,
MFCD12407408,
s1082,
ZINC40899447,
GDC-0449(Vismodegib)/GDC0449,
GDC-0449,Vismodegib, HhAntag691,
AKOS015966534,
BCP9000713,
CS-0255,
DB08828,
MCULE-6680076172,
NSC-755986,
PB15086,
RL05479,
NCGC00242497-01,
NCGC00242497-02,
NCGC00242497-06,
4CA-1325,
AC-26969,
AS-14066,
BC660083,
HY-10440,
SC-87729,
SMR004703564,
AB0008125,
AJ-103831,
AX8167197,
TC-149707,
FT-0675833,
ST24040458,
SW218087-2,
X4669,
EC-000.2333,
A10258,
D09992,
J90022,
Q-2305,
V-4050,
AB01565813_02,
085G559,
SR-01000941574,
2-chloro-N-[4-chloro-3-(pyridin-2-yl)phenyl]-4-,
J-509076,
SR-01000941574-1,
C538724000,
GDC-0449, GDC0449, GDC 0449, 879085-55-9,
2-Chloro-N-(4-chloro-3-(2-pyridl)phenyl)-4-(methylsulfonyl)benzamide,
2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methyl sulfonyl)benzamide,
2-chloro-N-[4-chloro-3-(2-pyridyl)phenyl]-4-methylsulfonyl-benzamide,
2-chloro-N~1~-[4-chloro-3-(2-pyridyl)phenyl]-4-(methylsulfonyl)benzamide,
2-CHLORO-N-[4-CHLORO-3-(2-PYRIDINYL)PHENYL]-4-(METHYLSULFONYL)-BENZAMIDE,
Benzamide, 2-chloro-N-(4-chloro-3-(2-pyridinyl)phenyl)-4-(methylsulfonyl)-,
GD 0449|||2-Chloro-N-[4-chloro-3-(2-pyridinyl)phenyl]-4-(methylsulfonyl)benzamide,
741719-52-8,
VIS,
HhAntag,
Vismodegib [USAN],
D03EDQ,
D0LB7J,
R3616 cpd,
Vismodegib (SHH inhibitor),
cc-580,
RG3616,
A3021,
A10467,
C538724,
Vismodegib, 98%, a Hedgehog inhibitor - 1G 1g,
BENZAMIDE, 2-CHLORO-N-[4-CHLORO-3-(2-PYRIDINYL)PHENYL]-4-(METHYLSULFONYL)-,
|
| Complexity | 625 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 420.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 421.292g/mol |
| Monoisotopic Mass | 420.01g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 84.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
| 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: | ||
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| Test: | Result: |

