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| CAS Number | 107753-78-6 |
| Catalog Number | AG007DU5(AGN-PC-0OXNDH) |
| Chemical Name | Zafirlukast |
| IUPAC Name | cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindol-5-yl]carbamate |
| InChI | InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35) |
| InChI Key | YEEZWCHGZNKEEK-UHFFFAOYSA-N |
| MDL Number | MFCD00864775 |
| Molecular Formula | C31H33N3O6S |
| Molecular Weight | 575.6752 |
| SMILES | O=C(OC1CCCC1)NC2=CC3=C(N(C)C=C3CC4=CC=C(C(NS(=O)(C5=CC=CC=C5C)=O)=O)C=C4OC)C=C2 |
| UNII | XZ629S5L50 |
| Synonyms | 4-(5-cyclopentyloxycarbonylamino-2-methylindol-3-yl-methyl)-3-methoxy-N-O-tolylsulfonylbenzamide,
Accolate,
Aeronix,
ICI 204,219,
ICI 204219,
ICI-204219,
Olmoran,
zafirlukast,
zafirlukast,
107753-78-6,
Accolate,
Olmoran,
ICI-204219,
Cyclopentyl (3-(2-methoxy-4-((o-tolylsulfonyl)carbamoyl)benzyl)-1-methyl-1H-indol-5-yl)carbamate,
Accoleit,
Vanticon,
ICI 204219,
C31H33N3O6S,
ICI 204,219,
UNII-XZ629S5L50,
Zafirlukast (Accolate),
Cyclopentyl 3-(2-methoxy-4-((o-tolylsulfonyl)carbamoyl)benzyl)-1-methylindole-5-carbamate,
CHEMBL603,
Aeronix,
CHEBI:10100,
XZ629S5L50,
MFCD00864775,
NCGC00164547-01,
NCGC00164547-06,
CPD000466316,
DSSTox_CID_3746,
DSSTox_RID_77181,
DSSTox_GSID_23746,
4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol-3-ylmethyl)-3-methoxy-N-o-tolylsulfonylbenzamide,
Carbamic acid, (3-((2-methoxy-4-((((2-methylphenyl)sulfonyl)amino)carbonyl)phenyl)methyl)-1-methyl-1H-indol-5-yl)-, cyclopentyl ester,
cyclopentyl 3-[2-methoxy-4-(2-methylphenylsulfonylcarbamoyl)benzyl]-1-methyl-1H-indol-5-ylcarbamate,
Q-201940,
Zafirst,
Respix,
Accolate (TN),
cyclopentyl N-[3-[[2-methoxy-4-(o-tolylsulfonylcarbamoyl)phenyl]methyl]-1-methyl-indol-5-yl]carbamate,
Cyclopentyl N-[3-[[2-Methoxy-4-[[[(2-methylphenyl)sulfonyl]amino]carbonyl]phenyl]methyl]-1-methyl-1H-indol-5-yl]carbamate,
cyclopentyl N-{3-[(2-methoxy-4-{[(2-methylbenzene)sulfonyl]carbamoyl}phenyl)methyl]-1-methyl-1H-indol-5-yl}carbamate,
N-[3-[[2-Methoxy-4-[[[(2-methylphenyl)sulfonyl]amino]carbonyl]phenyl]methyl]-1-methyl-1H-indol-5-yl]carbamic Acid Cyclopentyl Ester,
SMR000466316,
Zafirlukast [USAN:BAN:INN],
CAS-107753-78-6,
SR-01000759386,
Zafirlucast,
Zafirlukast (JAN/USAN/INN),
Zafirlukast [USAN:INN:BAN],
Zafirlukast(Accolate),
PubChem18223,
ACMC-209wlw,
AC1L1KZB,
Accolate;Accoleit;Vanticon,
cc-92,
SCHEMBL4175,
4-(5-cyclopentyloxycarbonylamino-2-methylindol-3-yl-methyl)-3-methoxy-N-O-tolylsulfonylbenzamide,
MLS000759421,
MLS001424064,
MLS006011771,
BIDD:GT0267,
GTPL3322,
DTXSID5023746,
CTK4A5698,
Zafirlukast, >=98% (HPLC),
YEEZWCHGZNKEEK-UHFFFAOYSA-N,
HMS2051F12,
HMS2089J10,
HMS3393F12,
HMS3650A04,
HMS3655E13,
HMS3713J08,
ZINC896717,
BCP05226,
KS-00001D9L,
Tox21_112176,
ANW-46530,
BDBM50009073,
BG0591,
BG0649,
GP6218,
s1633,
STK646780,
AKOS005577888,
Tox21_112176_1,
AC-9018,
AN-7458,
CCG-101025,
CS-2167,
DB00549,
MCULE-2053856450,
NC00275,
RTR-001857,
SB19079,
ICI-204,219,
NCGC00164547-02,
NCGC00164547-03,
NCGC00164547-04,
NCGC00164547-05,
AS-12943,
BC201090,
BR-72849,
CC-35662,
cyclopentyl (1-methyl-3-{[2-(methyloxy)-4-({[(2-methylphenyl)sulfonyl]amino}carbonyl)phenyl]methyl}-1H-indol-5-yl)carbamate,
cyclopentyl [3-(2-methoxy-4-{[(2-methylphenyl)sulfonyl]carbamoyl}benzyl)-1-methyl-1H-indol-5-yl]carbamate,
cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindol-5-yl]carbamate,
HY-17492,
LS-50025,
SAM001246577,
SC-45160,
AB0012638,
AB2000178,
ST2406760,
TR-001857,
4CH-018070,
FT-0601575,
MLS000759421-02,
SW197655-3,
C07206,
D00411,
32256-EP2270008A1,
32256-EP2280006A1,
32256-EP2281813A1,
32256-EP2281815A1,
32256-EP2281819A1,
32256-EP2284166A1,
32256-EP2292617A1,
32256-EP2292619A1,
32256-EP2295409A1,
32256-EP2298415A1,
32256-EP2301933A1,
32256-EP2305640A2,
32256-EP2305659A1,
32256-EP2308562A2,
32256-EP2311818A1,
32256-EP2311827A1,
AB00639922-06,
AB00639922-08,
AB00639922_09,
753Z786,
A801752,
C-23263,
L001011,
I06-0398,
SR-01000759386-4,
SR-01000759386-5,
SR-01000759386-9,
BRD-K71289571-001-06-4,
Z1551429730,
cyclopentyl 3-(2-methoxy-4-(o-tolylsulfonylcarbamoyl)benzyl)-1-methyl-1H-indol-5-ylcarbamate,
cyclopentyl N-[3-({2-methoxy-4-[(2-methylbenzenesulfonyl)carbamoyl]phenyl}methyl)-1-methyl-1H-indol-5-yl]carbamate,
cyclopentyl N-[3-({2-methoxy-4-[(2-methylbenzenesulfonyl)carbamoyl]phenyl}methyl)-1-methylindol-5-yl]carbamate,
cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methyl-indol-5-yl]carbamate,
N-[3-[[2-methoxy-4-[[(2-methylphenyl)sulfonylamino]-oxomethyl]phenyl]methyl]-1-methyl-5-indolyl]carbamic acid cyclopentyl ester,
Accoleit (TN),
Vanticon (TN),
D05DVP,
Zeneca brand of zafirkulast,
Menarini brand of zafirlukast,
Novartis brand of zafirlukast,
AstraZeneca brand of zafirlukast,
CID5717,
C31-H33-N3-O6-S,
CS-O-11222,
Accolate, Accoleit, Vanticon, Zafirlukast,
B2068,
Z0029,
C062735,
4-(5-cyclopentyloxy-carbonylamino-1-methyl-indol-3-ylmethyl)-3-methoxy-N-o-tolylsulfonylbenzamide,
cyclopentyl 3-[2-methoxy-4-[(o-tolylsulfonyl)carbamoyl]benzyl]-1-methylindole-5-carbamate,
|
| Complexity | 1010 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 575.209g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 41 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 575.68g/mol |
| Monoisotopic Mass | 575.209g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 124A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.5 |
| Symbol: | |
| Hazard Class | \N |
| Hazard statements | H302-H315-H319-H335 |
| Packing Group | \N |
| Precautionary statements | P261-P305+P351+P338 |
| UN Code | \N |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
| Molecular Weight: | ||
| Quantity: |
| Test: | Result: |

