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Details

Stereochemistry ABSOLUTE
Molecular Formula C34H32ClNO4S
Molecular Weight 586.14
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2'-DES(1-HYDROXY-1-METHYLETHYL)-2'-METHYCARBOXY MONTELUKAST

SMILES

COC(=O)C1=CC=CC=C1CC[C@@H](SCC2(CC(O)=O)CC2)C3=CC=CC(\C=C\C4=NC5=CC(Cl)=CC=C5C=C4)=C3

InChI

InChIKey=FVMXWBDOMBDOJN-JLBZDQGGSA-N
InChI=1S/C34H32ClNO4S/c1-40-33(39)29-8-3-2-6-24(29)12-16-31(41-22-34(17-18-34)21-32(37)38)26-7-4-5-23(19-26)9-14-28-15-11-25-10-13-27(35)20-30(25)36-28/h2-11,13-15,19-20,31H,12,16-18,21-22H2,1H3,(H,37,38)/b14-9+/t31-/m1/s1

HIDE SMILES / InChI

Molecular Formula C34H32ClNO4S
Molecular Weight 586.14
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
KUW20633YM
Record Status Validated (UNII)
Record Version