Details
Stereochemistry | RACEMIC |
Molecular Formula | C21H28O2 |
Molecular Weight | 312.4458 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 6 / 6 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC[C@]3([H])[C@@]4([H])CCC(=O)C=C4CC[C@@]23[H]
InChI
InChIKey=WWYNJERNGUHSAO-XUDSTZEESA-N
InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1
Molecular Formula | C21H28O2 |
Molecular Weight | 312.4458 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 6 / 6 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:26:36 UTC 2023
by
admin
on
Fri Dec 15 15:26:36 UTC 2023
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Record UNII |
3J8Q1747Z2
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Record Status |
Validated (UNII)
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Record Version |
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-
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Classification Tree | Code System | Code | ||
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WHO-VATC |
QG03FA10
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WHO-VATC |
QG03FB01
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WHO-VATC |
QG03AA06
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NCI_THESAURUS |
C776
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WHO-ATC |
G03FA10
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WHO-ATC |
G03AA06
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LIVERTOX |
699
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WHO-ATC |
G03FB01
Created by
admin on Fri Dec 15 15:26:36 UTC 2023 , Edited by admin on Fri Dec 15 15:26:36 UTC 2023
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Code System | Code | Type | Description | ||
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13109
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m8063
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NORGESTREL
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7630
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1472000
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SUB09371MIG
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D009644
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100000092602
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2157
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6533-00-2
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C703
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DB09389
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3595
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3J8Q1747Z2
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3J8Q1747Z2
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757251
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CHEMBL2107797
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7518
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PRIMARY | RxNorm | ||
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229-433-5
Created by
admin on Fri Dec 15 15:26:36 UTC 2023 , Edited by admin on Fri Dec 15 15:26:36 UTC 2023
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Related Record | Type | Details | ||
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ENANTIOMER -> RACEMATE |
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ENANTIOMER -> RACEMATE |
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BINDER->LIGAND |
BINDING
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Related Record | Type | Details | ||
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PARENT -> METABOLITE ACTIVE |
URINE
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METABOLITE -> PARENT |
URINE
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Related Record | Type | Details | ||
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PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
Name | Property Type | Amount | Referenced Substance | Defining | Parameters | References |
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Biological Half-life | PHARMACOKINETIC |
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