Zafirlukast Impurity 2

CAT: 1299-RM-Z010602-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-Z010602-01Size:10 mg

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CAS Number

1159195-67-1

Synonyms

Methyl (3- (2-methoxy-4- ((o-tolylsulfonyl) carbamoyl) benzyl) -1-methyl-1H-indol-5-yl) carbamate

Molecular Formula

C27H27N3O6S

Molecular Weight

521.58

Target Alternative Name

Zafirlukast

Product Name Synonym

Methyl (3- (2-methoxy-4- ((o-tolylsulfonyl) carbamoyl) benzyl) -1-methyl-1H-indol-5-yl) carbamate

Chemical Information

Decyclopentyl Zafirlukast Methyl Ester

CAS Number	1159195-67-1
PubChem CID	42633298
IUPAC Name	methyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindol-5-yl]carbamate
Molecular Formula	C27H27N3O6S
Molecular Weight	521.6
XLogP	4.2
Topological Polar Surface Area	124
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Heavy Atom Count	37
Formal Charge	0
Complexity	908

SMILES

CC1=CC=CC=C1S(=O)(=O)NC(=O)C2=CC(=C(C=C2)CC3=CN(C4=C3C=C(C=C4)NC(=O)OC)C)OC

InChI

InChI=1S/C27H27N3O6S/c1-17-7-5-6-8-25(17)37(33,34)29-26(31)19-10-9-18(24(14-19)35-3)13-20-16-30(2)23-12-11-21(15-22(20)23)28-27(32)36-4/h5-12,14-16H,13H2,1-4H3,(H,28,32)(H,29,31)

InChIKey

URZMDHMOLIPBIX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1159195-67-1

CID: 42633298

Formula: C27H27N3O6S

MW: 521.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	521.6
XLogP3	4.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Exact Mass	521.16205676
Monoisotopic Mass	521.16205676
Topological Polar Surface Area	124 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	908
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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CS-T-87487	Zafirlukast Impurity D
AR-Z01243-01	Zafirlukast Impurity 5
TRC-Z125025-25MG	Zafirlukast Impurity F
AR-Z01246-01	Zafirlukast Impurity 8
AR-Z01245-01	Zafirlukast Impurity 7
AR-Z01242-01	Zafirlukast Impurity 4
CS-T-79908	Zafirlukast Impurity 2
469158-01	Zafirlukast Impurity H
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469156-01	Zafirlukast Impurity G

Zafirlukast Impurity 2

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