Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | 2C9H19N.C6H10O8 |
| Molecular Weight | 492.6465 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CN[C@H](C)CCC=C(C)C.CN[C@H](C)CCC=C(C)C.O[C@@H]([C@@H](O)[C@H](O)C(O)=O)[C@@H](O)C(O)=O
InChI
InChIKey=WSXKZIDINJKWPM-QIVNROIFSA-N
InChI=1S/2C9H19N.C6H10O8/c2*1-8(2)6-5-7-9(3)10-4;7-1(3(9)5(11)12)2(8)4(10)6(13)14/h2*6,9-10H,5,7H2,1-4H3;1-4,7-10H,(H,11,12)(H,13,14)/t2*9-;1-,2+,3+,4-/m11./s1
| Molecular Formula | C6H10O8 |
| Molecular Weight | 210.1388 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C9H19N |
| Molecular Weight | 141.2539 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Effects of two isometheptene enantiomers in isolated human blood vessels and rat middle meningeal artery - potential antimigraine efficacy. | 2019-05-03 |
|
| Pharmacological analysis of the increases in heart rate and diastolic blood pressure produced by (S)-isometheptene and (R)-isometheptene in pithed rats. | 2017-12 |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 22:55:26 GMT 2025
by
admin
on
Mon Mar 31 22:55:26 GMT 2025
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| Record UNII |
G5E8S36F0N
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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| Code System | Code | Type | Description | ||
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300000044469
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G5E8S36F0N
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1631134-71-8
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76853225
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CHEMBL1476245
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admin on Mon Mar 31 22:55:26 GMT 2025 , Edited by admin on Mon Mar 31 22:55:26 GMT 2025
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C169897
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CD-109
Created by
admin on Mon Mar 31 22:55:26 GMT 2025 , Edited by admin on Mon Mar 31 22:55:26 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |