Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C22H31NO3.ClH |
| Molecular Weight | 393.947 |
| Optical Activity | ( - ) |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.CCN(CC)CC#CCOC(=O)[C@@](O)(C1CCCCC1)C2=CC=CC=C2
InChI
InChIKey=SWIJYDAEGSIQPZ-FTBISJDPSA-N
InChI=1S/C22H31NO3.ClH/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20;/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3;1H/t22-;/m0./s1
| Molecular Formula | C22H31NO3 |
| Molecular Weight | 357.4864 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | ClH |
| Molecular Weight | 36.461 |
| 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
Sat Dec 16 11:17:28 UTC 2023
by
admin
on
Sat Dec 16 11:17:28 UTC 2023
|
| Record UNII |
JWB87T68BN
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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11349918
Created by
admin on Sat Dec 16 11:17:28 UTC 2023 , Edited by admin on Sat Dec 16 11:17:28 UTC 2023
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PRIMARY | |||
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JWB87T68BN
Created by
admin on Sat Dec 16 11:17:28 UTC 2023 , Edited by admin on Sat Dec 16 11:17:28 UTC 2023
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1207344-05-5
Created by
admin on Sat Dec 16 11:17:28 UTC 2023 , Edited by admin on Sat Dec 16 11:17:28 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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RACEMATE -> ENANTIOMER |
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