Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C32H44NO8 |
| Molecular Weight | 570.6937 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 1 |
SHOW SMILES / InChI
SMILES
COC1=CC=C(C[C@H]2C3=C(CC[N@@+]2(C)CCC(=O)OCCCCCOC(=O)C=C)C=C(OC)C(OC)=C3)C=C1OC
InChI
InChIKey=JFTNADUFFQXKTQ-UBOZLPQGSA-N
InChI=1S/C32H44NO8/c1-7-31(34)40-17-9-8-10-18-41-32(35)14-16-33(2)15-13-24-21-29(38-5)30(39-6)22-25(24)26(33)19-23-11-12-27(36-3)28(20-23)37-4/h7,11-12,20-22,26H,1,8-10,13-19H2,2-6H3/q+1/t26-,33-/m0/s1
| Molecular Formula | C32H44NO8 |
| Molecular Weight | 570.6937 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 19:40:35 GMT 2025
by
admin
on
Wed Apr 02 19:40:35 GMT 2025
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| Record UNII |
Q7WG2S2AHW
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| Record Status |
Validated (UNII)
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| Record Version |
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-
Download
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Preferred Name | English | ||
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Systematic Name | English |
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119403-01-9
Created by
admin on Wed Apr 02 19:40:35 GMT 2025 , Edited by admin on Wed Apr 02 19:40:35 GMT 2025
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Q7WG2S2AHW
Created by
admin on Wed Apr 02 19:40:35 GMT 2025 , Edited by admin on Wed Apr 02 19:40:35 GMT 2025
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DTXSID60717940
Created by
admin on Wed Apr 02 19:40:35 GMT 2025 , Edited by admin on Wed Apr 02 19:40:35 GMT 2025
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PRIMARY |
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![Structure of 1-[(3,4-Dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-2-[3-oxo-3-[[5-[(1-oxo-2-propenyl)oxy]pentyl]oxy]propyl]-isoquinolinium Benzenesulfonate, cis-](/img/f1f20268-8d36-4b85-b817-f7dfc0696d1d.svg "Structure of 1-[(3,4-Dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-2-[3-oxo-3-[[5-[(1-oxo-2-propenyl)oxy]pentyl]oxy]propyl]-isoquinolinium Benzenesulfonate, cis-")
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|---|---|---|---|---|
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ACTIVE MOIETY |
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![Structure of 1-[(3,4-Dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-2-[3-oxo-3-[[5-[(1-oxo-2-propenyl)oxy]pentyl]oxy]propyl]-isoquinolinium, cis-](/img/e11d0a18-a49d-4661-9a91-52a1701fc509.svg "Structure of 1-[(3,4-Dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-2-[3-oxo-3-[[5-[(1-oxo-2-propenyl)oxy]pentyl]oxy]propyl]-isoquinolinium, cis-")