Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C34H37N5O5.C4H4O4 |
| Molecular Weight | 711.7602 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.[H][C@@]12CCCN1C(=O)[C@H](CC3=CC=CC=C3)N4C(=O)[C@](C)(NC(=O)[C@H]5CN(C)[C@]6([H])CC7=CN(C)C8=CC=CC(=C78)C6=C5)O[C@@]24O
InChI
InChIKey=DICAKYVLYKETGT-NLVNNSOHSA-N
InChI=1S/C34H37N5O5.C4H4O4/c1-33(32(42)39-27(15-20-9-5-4-6-10-20)31(41)38-14-8-13-28(38)34(39,43)44-33)35-30(40)22-16-24-23-11-7-12-25-29(23)21(18-36(25)2)17-26(24)37(3)19-22;5-3(6)1-2-4(7)8/h4-7,9-12,16,18,22,26-28,43H,8,13-15,17,19H2,1-3H3,(H,35,40);1-2H,(H,5,6)(H,7,8)/b;2-1-/t22-,26-,27+,28+,33-,34+;/m1./s1
| Molecular Formula | C34H37N5O5 |
| Molecular Weight | 595.6881 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C4H4O4 |
| Molecular Weight | 116.0722 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
Metergotamine (MY-25 or 1-methyl-ergotamine-bitartrate) is a derivative of ergotamine and belongs to peptide alkaloids. It exerts a dampening effect on vessels, in that relaxation is brought about in contracted vessels, whereas contraction is brought in dilated vessels. Metergotamine was being studied in migraine prophylaxis.
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 21:48:46 UTC 2023
by
admin
on
Fri Dec 15 21:48:46 UTC 2023
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| Record UNII |
BV3Q63BS3E
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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Common Name | English |
| Code System | Code | Type | Description | ||
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91000-52-1
Created by
admin on Fri Dec 15 21:48:46 UTC 2023 , Edited by admin on Fri Dec 15 21:48:46 UTC 2023
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PRIMARY | |||
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BV3Q63BS3E
Created by
admin on Fri Dec 15 21:48:46 UTC 2023 , Edited by admin on Fri Dec 15 21:48:46 UTC 2023
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PRIMARY | |||
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71587340
Created by
admin on Fri Dec 15 21:48:46 UTC 2023 , Edited by admin on Fri Dec 15 21:48:46 UTC 2023
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PRIMARY |
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |