| SpectraBase Spectrum ID |
3mv3eTTkrgG |
| Name |
5'-Benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxoergotaman |
| CAS Registry Number |
113-15-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C33H35N5O5 |
| InChI |
InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39) |
| InChIKey |
XCGSFFUVFURLIX-UHFFFAOYSA-N |
| Molecular Weight |
581.673 g/mol |
| SMILES |
OC12OC(C(N2C(C(=O)N2C1CCC2)Cc1ccccc1)=O)(NC(=O)C1C=C2c3c4c(c[nH]c4ccc3)CC2N(C1)C)C |
| SPLASH |
splash10-01vo-9524000000-025666b8cea9c09f48bf |
| Source of Spectrum |
JC-575-293-3 |
| Synonyms |
(5'.alpha.)-12'-Hydroxy-2'-methyl-5'-(phenylmethyl)ergotoman-3',6',18-trione
(5'alpha)-12'-hydroxy-2'-methyl-5'-(phenylmethyl)ergotoman-3',6',18-trione
12'-Hydroxy-2'-methyl-5'.alpha.-(phenylmethyl)ergotaman-3',6',18-trione
Avetol
Cornutamin
ERGAM
Ergate
Ergomar
Ergonsvine
Ergostat
Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'-alpha)-
Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'alpha)-, (2R,3R)-2,3-dihydroxybutanedioate (2:1) (salt)
Ergotamin
Ergotamina
Ergotamine
Ergotamine bitartrate
Ergotamine hemitartrate
Ergotamine tartrate
Ergotamine, tartrate (2:1)
Ergotaminum
Ergotartrate
ETIN
Exmigra
Femergin
Gotamine tartrate
Gynergen
Lingraine
Lingran
Medihaler ergotamine
Migretamine
Neo-ergotin
Rigetamin
Secagyn
Secupan
BRN 0078890
CCRIS 487
EINECS 204-023-9
EINECS 206-835-9
HSDB 4076
NSC 41869
NSC 95090 |
| Wiley ID |
1408582 |
