Recordati

LMGYIXCUQYTPKM-NDOMUHJGSA-N

Chemistry, 2 End Use API, 41 Related Intermediates

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Also known as: 141109-12-8, (r)-tetrahydropapaverine n-acetyl-l-leucinate, R-tetrahydropapaverine-n-acety-l-leucinate, L-leucine, n-acetyl-, compd. with (1r)-1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinoline (1:1), (r)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline acetyl-l-leucinate, (2s)-2-acetamido-4-methylpentanoic acid;(1r)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

Molecular Formula

C₂₈H₄₀N₂O₇

Molecular Weight

516.6 g/mol

InChI Key

LMGYIXCUQYTPKM-NDOMUHJGSA-N

1 2D Structure

LMGYIXCUQYTPKM-NDOMUHJGSA-N

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-2-acetamido-4-methylpentanoic acid;(1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

2.1.2 InChI

InChI=1S/C20H25NO4.C8H15NO3/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;1-5(2)4-7(8(11)12)9-6(3)10/h5-6,10-12,16,21H,7-9H2,1-4H3;5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t16-;7-/m10/s1

2.1.3 InChI Key

LMGYIXCUQYTPKM-NDOMUHJGSA-N

2.1.4 Canonical SMILES

CC(C)CC(C(=O)O)NC(=O)C.COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2)OC)OC)OC

2.1.5 Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)C.COC1=C(C=C(C=C1)C[C@@H]2C3=CC(=C(C=C3CCN2)OC)OC)OC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 141109-12-8

2. (r)-tetrahydropapaverine N-acetyl-l-leucinate

3. R-tetrahydropapaverine-n-acety-l-leucinate

4. L-leucine, N-acetyl-, Compd. With (1r)-1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinoline (1:1)

5. (r)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline Acetyl-l-leucinate

6. (2s)-2-acetamido-4-methylpentanoic Acid;(1r)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

7. Mfcd11973628

8. Akos015900369

9. As-75088

10. F15233

11. Q-101022

12. (1r)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline; (2s)-2-acetamido-4-methylpentanoic Acid

2.3 Create Date

2011-05-03

3 Chemical and Physical Properties

Molecular Formula	C₂₈H₄₀N₂O₇
Molecular Weight	516.6 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	10
Exact Mass	516.28355162 g/mol
Monoisotopic Mass	516.28355162 g/mol
Topological Polar Surface Area	115 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	584
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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Tetrahydropapaverine

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CAS Number

6429-04-5

End Use API

Atracurium Besylate

About the Company

Recordati, established in 1926, is an international pharmaceutical group, listed on the Italian Stock Exc...

Recordati, established in 1926, is an international pharmaceutical group, listed on the Italian Stock Exchange (Reuters RECI.MI, Bloomberg REC IM, ISIN IT 0003828271), with a total staff of around 4,000, dedicated to the research, development, manufacturing and marketing of pharmaceuticals. Headquartered in Milan, Italy, Recordati has operations in the main European countries, in Russia, in other Central and Eastern European countries, in Turkey, in North Africa and in the United States of America.

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