Dihydroergocristine

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

Dihydroergocristine

Names
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
3D model (JSmol)	Interactive image
ChemSpider	96884
ECHA InfoCard	100.037.706
IUPHAR/BPS	278
PubChem CID	3065
UNII	05D48LUM4Z
CompTox Dashboard (EPA)	DTXSID3046322
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
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(c[nH]6)C[C@H]8N(C)C7)C(C)C
Properties
Chemical formula	C35H41N5O5
Molar mass	611.73 g/mol
Pharmacology
ATC code	C04AE04 (WHO)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references