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Ergocristine

CSA Names: Ergocristine
CSA Location: Listed Chemicals Section (a) Subsection (30) DEA code 8612
CSA History: 75 FR 8287 proposed to add on 24 Feb 2010
76 FR 17778 added effective 2 May 2011
Names: (5ʹα)-5ʹ-Benzyl-12ʹ-hydroxy-3ʹ,6ʹ,18-trioxo-2ʹ-(propan-2-yl)ergotaman (IUPAC)
Molecular formula: C35H39N5O5
Nominal mass: 609
Average mass: 609.7147
Monoisotopic mass: 609.295119
CAS registry number: 511-08-0
ChemSpider: 28873
PubChem: 98255
Wikipedia: Ergocristine
Erowid:
Drugs-Forum:
Bluelight:
Standard InChI: InChI=1S/C35H39N5O5/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(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41)/t23-,27-,28+,29+,34-,35+/m1/s1
Standard InChI key: HEFIYUQVAZFDEE-MKTPKCENSA-N
SMILES: O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@@]1(O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O)C(C)C
Tags: USCSA,ergoline