Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C18H21NO3.C8H6O4 |
| Molecular Weight | 465.4951 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)C1=CC=C(C=C1)C(O)=O.COC2=C3O[C@H]4C(=O)CC[C@H]5[C@H]6CC(C=C2)=C3[C@@]45CCN6C
InChI
InChIKey=UHOONLSENBOUFP-RNWHKREASA-N
InChI=1S/C18H21NO3.C8H6O4/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;9-7(10)5-1-2-6(4-3-5)8(11)12/h3,6,11-12,17H,4-5,7-9H2,1-2H3;1-4H,(H,9,10)(H,11,12)/t11-,12+,17-,18-;/m0./s1
| Molecular Formula | C18H21NO3 |
| Molecular Weight | 299.3642 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C8H6O4 |
| Molecular Weight | 166.1308 |
| 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 17:50:03 GMT 2025
by
admin
on
Mon Mar 31 17:50:03 GMT 2025
|
| Record UNII |
DC7N64C409
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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Preferred Name | English | ||
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| Code System | Code | Type | Description | ||
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7490-98-4
Created by
admin on Mon Mar 31 17:50:03 GMT 2025 , Edited by admin on Mon Mar 31 17:50:03 GMT 2025
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PRIMARY | |||
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DC7N64C409
Created by
admin on Mon Mar 31 17:50:03 GMT 2025 , Edited by admin on Mon Mar 31 17:50:03 GMT 2025
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PRIMARY | |||
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21159608
Created by
admin on Mon Mar 31 17:50:03 GMT 2025 , Edited by admin on Mon Mar 31 17:50:03 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> DERIVATIVE | |||
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |