Dihydroergocristine

Dihydroergocristine: Dihydroergocristine

IUPAC name

(2R,4R,7R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-5,8-dioxo-4-(propan-2-yl)-3-oxa-6,9-diazatricyclo[7.3.0.0^2,6]dodecan-4-yl]-2,6-dimethyl-6,11-diazatetracyclo[7.6.1.0^2,7.0^12,16]hexadeca-1(16),9,12,14-tetraene-4-carboxamide

Other names

(5′a,10a)-9,10-Dihydro-12′- hydroxy-2′-(1-methylethyl)-5′-(phenylmethyl)ergotaman-3′,6′,18-trione

Identifiers

CAS number 17479-19-5

PubChem 3065

ChemSpider 96884

UNII 05D48LUM4Z

IUPHAR ligand 278

Jmol-3D images Image 1

SMILES

O=C3N1CCC[C@H]1[C@]2(O)O[C@](C(=O)N2[C@H]3Cc4ccccc4)(NC(=O)[C@@H]7C[C@@H]8c5cccc6c5c(cn6)C[C@H]8N(C)C7)C(C)C

InChI

InChI=1/C35H41N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30( 24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-2 1)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,18,20,23,25,27- 29,36,44H,8,13-17,19H2,1-3H3,(H,37,41)/t23-,25-,27-,28+,29+,34-,3 5+/m1/s1

Properties

Molecular formula C₃₅H₄₁N₅O₅

Molar mass 611.73 g/mol

Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)

Infobox references

Dihydroergocristine is an ergot alkaloid. Alongside dihydroergocornine and dihydroergocryptine, it is one of the components of ergoloid.

v · d · ePeripheral vasodilators (C04)

2-amino-1-phenylethanol derivatives
Isoxsuprine • Buphenine • Bamethan

Imidazoline derivatives/
Alpha blockers
Phentolamine • Tolazoline • Phenoxybenzamine

Niacin and derivatives
Niacin • Nicotinyl alcohol • Inositol nicotinate • Ciclonicate

Purine derivatives
Pentifylline • Xantinol nicotinate • Pentoxifylline • Etofylline nicotinate

Ergot alkaloids
Ergoloid • Nicergoline • Dihydroergocristine

Other peripheral vasodilators
Cyclandelate • Phenoxybenzamine • Vincamine • Moxisylyte • Bencyclane • Vinburnine • Sulcotidil • Buflomedil • Naftidrofuryl • Butalamine • Visnadine • Cetiedil • Cinepazide • Ifenprodil • Azapetine • Fasudil

M: VAS

anat(a:h/u/t/a/l,v:h/u/t/a/l)/phys/devp/cell/prot

noco/syva/cong/lyvd/tumr, sysi/epon, injr

proc, drug(C2s+n/3/4/5/7/8/9)

This drug article relating to the cardiovascular system is a stub. You can help Wikipedia by expanding it.

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Dihydroergocristine

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Dihydroergocristine

IUPAC name (2R,4R,7R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-5,8-dioxo-4-(propan-2-yl)-3-oxa-6,9-diazatricyclo[7.3.0.0^2,6]dodecan-4-yl]-2,6-dimethyl-6,11-diazatetracyclo[7.6.1.0^2,7.0^12,16]hexadeca-1(16),9,12,14-tetraene-4-carboxamide
Other names (5′a,10a)-9,10-Dihydro-12′- hydroxy-2′-(1-methylethyl)-5′-(phenylmethyl)ergotaman-3′,6′,18-trione
Identifiers
CAS number	17479-19-5
PubChem	3065
ChemSpider	96884
UNII	05D48LUM4Z
IUPHAR ligand	278
Jmol-3D images	Image 1
SMILES O=C3N1CCC[C@H]1[C@]2(O)O[C@](C(=O)N2[C@H]3Cc4ccccc4)(NC(=O)[C@@H]7C[C@@H]8c5cccc6c5c(cn6)C[C@H]8N(C)C7)C(C)C
InChI InChI=1/C35H41N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30( 24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-2 1)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,18,20,23,25,27- 29,36,44H,8,13-17,19H2,1-3H3,(H,37,41)/t23-,25-,27-,28+,29+,34-,3 5+/m1/s1
Properties
Molecular formula	C₃₅H₄₁N₅O₅
Molar mass	611.73 g/mol
Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)
Infobox references

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Dihydroergocristine

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