Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C31H44NO8.C6H5O3S |
| Molecular Weight | 715.85 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[O-]S(=O)(=O)C1=CC=CC=C1.COC2=CC=C(C[C@@H]3C4=CC(OC)=C(OC)C=C4CC[N@+]3(C)CCC(=O)OCCCCCOC(C)=O)C=C2OC
InChI
InChIKey=ZSACWOVJMNSKPR-ZCPBCSHISA-M
InChI=1S/C31H44NO8.C6H6O3S/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;7-10(8,9)6-4-2-1-3-5-6/h10-11,19-21,26H,7-9,12-18H2,1-6H3;1-5H,(H,7,8,9)/q+1;/p-1/t26-,32-;/m1./s1
| Molecular Formula | C6H5O3S |
| Molecular Weight | 157.167 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| 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
Wed Apr 02 17:44:59 GMT 2025
by
admin
on
Wed Apr 02 17:44:59 GMT 2025
|
| Record UNII |
SGK9T3M2TE
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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Systematic Name | English | ||
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Preferred Name | English | ||
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171382476
Created by
admin on Wed Apr 02 17:44:59 GMT 2025 , Edited by admin on Wed Apr 02 17:44:59 GMT 2025
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2411761-86-7
Created by
admin on Wed Apr 02 17:44:59 GMT 2025 , Edited by admin on Wed Apr 02 17:44:59 GMT 2025
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PRIMARY | |||
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SGK9T3M2TE
Created by
admin on Wed Apr 02 17:44:59 GMT 2025 , Edited by admin on Wed Apr 02 17:44:59 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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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")