Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C22H31NO2.C4H6O4 |
| Molecular Weight | 459.5751 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)CCC(O)=O.CC(C)N(CC[C@H](C1=CC=CC=C1)C2=CC(CO)=CC=C2O)C(C)C
InChI
InChIKey=FRPJDSBXTGYKRS-VEIFNGETSA-N
InChI=1S/C22H31NO2.C4H6O4/c1-16(2)23(17(3)4)13-12-20(19-8-6-5-7-9-19)21-14-18(15-24)10-11-22(21)25;5-3(6)1-2-4(7)8/h5-11,14,16-17,20,24-25H,12-13,15H2,1-4H3;1-2H2,(H,5,6)(H,7,8)/t20-;/m1./s1
| Molecular Formula | C22H31NO2 |
| Molecular Weight | 341.487 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C4H6O4 |
| Molecular Weight | 118.088 |
| 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 14:32:22 UTC 2023
by
admin
on
Sat Dec 16 14:32:22 UTC 2023
|
| Record UNII |
90Y3ELK3FB
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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| Code System | Code | Type | Description | ||
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100000166136
Created by
admin on Sat Dec 16 14:32:22 UTC 2023 , Edited by admin on Sat Dec 16 14:32:22 UTC 2023
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PRIMARY | |||
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1512864-59-3
Created by
admin on Sat Dec 16 14:32:22 UTC 2023 , Edited by admin on Sat Dec 16 14:32:22 UTC 2023
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PRIMARY | |||
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72700782
Created by
admin on Sat Dec 16 14:32:22 UTC 2023 , Edited by admin on Sat Dec 16 14:32:22 UTC 2023
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PRIMARY | |||
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90Y3ELK3FB
Created by
admin on Sat Dec 16 14:32:22 UTC 2023 , Edited by admin on Sat Dec 16 14:32:22 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |