CAS 43229-70-5

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BUILDING BLOCK

2 Suppliers, 2 End Use APIs, 9 Related Intermediates

2 Suppliers
2 End Use APIs
9 Related Intermediates

Chemistry

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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

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 Formula	C₃₃H₃₆N₂O₄
Molecular Weight	524.6 g/mol
XLogP3	5.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	13
Exact Mass	524.26750763 g/mol
Monoisotopic Mass	524.26750763 g/mol
Topological Polar Surface Area	71 Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	673
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1