Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C31H44NO8 |
| Molecular Weight | 558.683 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 1 |
SHOW SMILES / InChI
SMILES
COC1=C(OC)C=C(C[C@@H]2C3=CC(OC)=C(OC)C=C3CC[N@+]2(C)CCC(=O)OCCCCCOC(C)=O)C=C1
InChI
InChIKey=MVKFJIZJWCHLJD-HVIPQOSHSA-N
InChI=1S/C31H44NO8/c1-22(33)39-16-8-7-9-17-40-31(34)13-15-32(2)14-12-24-20-29(37-5)30(38-6)21-25(24)26(32)18-23-10-11-27(35-3)28(19-23)36-4/h10-11,19-21,26H,7-9,12-18H2,1-6H3/q+1/t26-,32-/m1/s1
| Molecular Formula | C31H44NO8 |
| Molecular Weight | 558.683 |
| 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
Sat Dec 16 19:55:50 UTC 2023
by
admin
on
Sat Dec 16 19:55:50 UTC 2023
|
| Record UNII |
2XF7FLQ24H
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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2XF7FLQ24H
Created by
admin on Sat Dec 16 19:55:50 UTC 2023 , Edited by admin on Sat Dec 16 19:55:50 UTC 2023
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PRIMARY | |||
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2411761-85-6
Created by
admin on Sat Dec 16 19:55:50 UTC 2023 , Edited by admin on Sat Dec 16 19:55:50 UTC 2023
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168429559
Created by
admin on Sat Dec 16 19:55:50 UTC 2023 , Edited by admin on Sat Dec 16 19:55:50 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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IONIC MOIETY |
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![Structure of (1R,2R)-2-[3-[[5-(acetyloxy)pentyl]oxy]]-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3-oxopropyl-1,2,3,4-tetrahydroisoquinolinium](/img/1c6590eb-2ed1-4c8a-947a-3f1018d9f2f4.svg "Structure of (1R,2R)-2-[3-[[5-(acetyloxy)pentyl]oxy]]-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3-oxopropyl-1,2,3,4-tetrahydroisoquinolinium")
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PARENT -> IMPURITY |
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