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Also known as: N-[5-[2-[benzyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-hydroxyethyl]-2-phenylmethoxyphenyl]formamide, Schembl1134272, Mfcd09744031, Akos015901546, N,o-dibenzylatedformoterolfumarate, Ft-0639842
Molecular Formula
C33H36N2O4
Molecular Weight
524.6  g/mol
InChI Key
RVGUTXYKHMDBPX-UHFFFAOYSA-N

CAS 43229-70-5
1 2D Structure

CAS 43229-70-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-[5-[2-[benzyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-hydroxyethyl]-2-phenylmethoxyphenyl]formamide
2.1.2 InChI
InChI=1S/C33H36N2O4/c1-25(19-26-13-16-30(38-2)17-14-26)35(21-27-9-5-3-6-10-27)22-32(37)29-15-18-33(31(20-29)34-24-36)39-23-28-11-7-4-8-12-28/h3-18,20,24-25,32,37H,19,21-23H2,1-2H3,(H,34,36)
2.1.3 InChI Key
RVGUTXYKHMDBPX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(CC1=CC=C(C=C1)OC)N(CC2=CC=CC=C2)CC(C3=CC(=C(C=C3)OCC4=CC=CC=C4)NC=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. N-[5-[2-[benzyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-hydroxyethyl]-2-phenylmethoxyphenyl]formamide

2. Schembl1134272

3. Mfcd09744031

4. Akos015901546

5. N,o-dibenzylatedformoterolfumarate

6. Ft-0639842

7. Ft-0662799

8. A913676

9. Rac-o-benzyl N-phenyl Formoterol(mixture Of Diastereomers)

10. 4-benzyloxy-3-formylamino-alpha-[n-benzyl-n-(1-methyl-2-p-methoxy Phenylethyl)aminomethyl]benzyl Alcohol

11. 4-benzyloxy-3-formylamino-alpha-[n-benzyl-n-(1-methyl-2-p-methoxyphenylethyl) Aminomethyl] Benzyl Alcohol

12. 4-benzyloxy-3-formylamino-alpha-[n-benzyl-n-(1-methyl-2-p-methoxyphenylethyl)aminomethyl]benzyl Alcohol

13. N-[5-(2-{benzyl[1-(4-methoxyphenyl)-2-propanyl]amino}-1-hydroxyethyl)-2-(benzyloxy)phenyl]formamide

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 524.6 g/mol
Molecular Formula C33H36N2O4
XLogP35.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Exact Mass524.26750763 g/mol
Monoisotopic Mass524.26750763 g/mol
Topological Polar Surface Area71 Ų
Heavy Atom Count39
Formal Charge0
Complexity673
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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