R-Tetrahydropapaverine N-acetyl-L-leucinate

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

CAS No.：141109-12-8

Molecular Weight：516.635

Molecular Formula：C28H40N2O7 (isomer)

1. Names and Identifiers

1.1 Synonyms: (1r)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline (r)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline acetyl-l-leucinate (r)-1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinoline n-acetyl-l-leucine (r)-tetrahydropapaverine n-acetyl-l-leucinate [50896-90-7], c20h25no4,343.18 1,2,3,4-tetrahydro-6,7-dimethoxy-, (1r) AKOS015900369 BG01184377 c20h25no4.c8h15no3 CM11041 CT-416 FT-0655560 mfcd11973628 n-acetyl-leu n-acetylleucine salt Q-101022 RL01727 r-tetrahydro-n-acetyl papaverine-l-leucine r-tetrahydropapaverine-n -acety-l-leucinate r-tetrahydropapaverine-n-acety-l-leucinate ST51053962

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

1.3 InChkey: LMGYIXCUQYTPKM-NDOMUHJGSA-N

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. 3D Conformer

3. Properties

3.1 HS Code: 2939190090

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

View all

5. Computational chemical data

Molecular Weight：516.635g/mol
Molecular Formula：C₂₈H₄₀N₂O₇
Compound Is Canonicalized：True
Exact Mass：516.284
Monoisotopic Mass：516.284
Complexity：584
Rotatable Bond Count：10
Hydrogen Bond Donor Count：3
Hydrogen Bond Acceptor Count：8
Topological Polar Surface Area：115A^2
Heavy Atom Count：37
Defined Atom Stereocenter Count：2
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：2
CACTVS Substructure Key Fingerprint： AAADcfB7OAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACxQAAAHgAQCAAADSzBmAYyDoLABgCI AiHSGACCCAAgIAAIiIGOjIgPJjKEsTuEcCpk1hGaqAe40PMOoAABAAAQQABAAAIAACCAAAAAAAAA AA==

6. Similar Structures Products

cas:50720-57-51,2,3,4-tetrahydro-6,7-dimethoxy-, (1S), L-Leucine...

7. Recommended Suppliers

Global(114)Suppliers

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