Chem
J-GLOBAL ID:200907007411681909
Nikkaji number:J6.263D
Dihydroergotamine
ジヒドロエルゴタミン
Download MOL file
Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C33 H37 N5 O5
Molecular formula furigana:
C33-H37-N5-O5
Molecular weight:
583.689
InChI:
InChI=1S/C33H37N5O5/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/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39)/t21-,23-,25-,26+,27+,32-,33+/m1/s1
InChI key:
LUZRJRNZXALNLM-JGRZULCMSA-N
SMILES:
CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O
Systematic name (3):
9,10α-ジヒドロ-12′-ヒドロキシ-2′-メチル-5′α-(フェニルメチル)エルゴタマン-3′,6′,18-トリオン
(2R,4R,7R)-N-[(1S,2S,4R,7S)-7-ベンジル-2-ヒドロキシ-4-メチル-5,8-ジオキソ-3-オキサ-6,9-ジアザトリシクロ[7.3.0.02,6 ]ドデカン-4-イル]-6-メチル-6,11-ジアザテトラシクロ[7.6.1.02,7 .012,16 ]ヘキサデカ-1(16),9,12,14-テトラエン-4-カルボキサミド
(2R,4R,7R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6 ]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.02,7 .012,16 ]hexadeca-1(16),9,12,14-tetraene-4-carboxamide
Other name (5):
ジヒドロエルゴタミン
Dihydroergotamine
9,10α-Dihydro-12′-hydroxy-2′-methyl-5′α-(phenylmethyl)ergotaman-3′,6′,18-trione
9,10-ジヒドロエルゴタミン
9,10-Dihydroergotamine
CAS registry number:
511-12-6
Regulation number (4):
8-(2)-1010
8-(2)-1012
II3675000
EINECS2081233
Application (5):
alpha adrenergic agonist
, alpha adrenergic antagonist
, vasoconstrictor
, plant preparation
, analgesic
Thsaurus map:
Return to Previous Page