Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C20H30NO3.I |
| Molecular Weight | 459.3616 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
| Stereo Comments | Assumed racemic |
SHOW SMILES / InChI
SMILES
[I-].C[N+]1(C)CCC(CC1)OC(=O)C(O)(C2CCCC2)C3=CC=CC=C3
InChI
InChIKey=CYQJMVVXNFXJQL-UHFFFAOYSA-M
InChI=1S/C20H30NO3.HI/c1-21(2)14-12-18(13-15-21)24-19(22)20(23,17-10-6-7-11-17)16-8-4-3-5-9-16;/h3-5,8-9,17-18,23H,6-7,10-15H2,1-2H3;1H/q+1;/p-1
| Molecular Formula | C20H29NO3 |
| Molecular Weight | 331.4492 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 2 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
| Molecular Formula | HI |
| Molecular Weight | 127.91241 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 17:57:36 GMT 2025
by
admin
on
Mon Mar 31 17:57:36 GMT 2025
|
| Record UNII |
2Q5FDZ4IJT
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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2Q5FDZ4IJT
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113569-69-0
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admin on Mon Mar 31 17:57:36 GMT 2025 , Edited by admin on Mon Mar 31 17:57:36 GMT 2025
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138756761
Created by
admin on Mon Mar 31 17:57:36 GMT 2025 , Edited by admin on Mon Mar 31 17:57:36 GMT 2025
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