ALPHA-ERGOCRYPTINE structure, CAS 511-09-1

ALPHA-ERGOCRYPTINE

CAS Number511-09-1

Synonyms(5'a)-12'-Hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)ergotaman-3',6',18-trione; Ergocryptine; 12'-hydroxy-5'; alpha-ergocryptine; (5'α)-12'-Hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman; α-Ergocryptine; a-Ergocryptine; 12'-Hydroxy-5'α-isobutyl-2'-isopropylergotaman-3',6',18-trione; 12'-Hydroxy-2'-(1-methylethyl)-5'-α-(2-methylpropyl)ergotaman-3',6',18-trione; (5'α)-12'-hydroxy-5'-(2-methylpropyl)-3',6',18-trioxo-2'-(propan-2-yl)ergotaman

Molecular FormulaC32H41N5O5

Molecular Weight575.698

Purity98.00%

Density1.4±0.1 g/cm3

Boiling Point861.7±65.0 °C at 760 mmHg

Melting Point152-154ºC

Flash Point

Appearance

EINECS

MSDSChineseEnglish

Symbol6.1(b)

Signal WordWarning

Cat. No.: 2A-1171189 Purity: 98.00%
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Quality Control of [ 511-09-1 ] Purity: 98.00% SDS Specification MoL

Chemical & Physical Properties
CAS Number511-09-1
Catalog No.2A-1171189
Chinese Name麦角克碱
Synonyms(5'a)-12'-Hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)ergotaman-3',6',18-trione; Ergocryptine; 12'-hydroxy-5'; alpha-ergocryptine; (5'α)-12'-Hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman; α-Ergocryptine; a-Ergocryptine; 12'-Hydroxy-5'α-isobutyl-2'-isopropylergotaman-3',6',18-trione; 12'-Hydroxy-2'-(1-methylethyl)-5'-α-(2-methylpropyl)ergotaman-3',6',18-trione; (5'α)-12'-hydroxy-5'-(2-methylpropyl)-3',6',18-trioxo-2'-(propan-2-yl)ergotaman
Molecular FormulaC32H41N5O5
Molecular Weight575.698
Purity98.00
Density1.4±0.1 g/cm3
Boiling Point861.7±65.0 °C at 760 mmHg
Melting Point152-154ºC
PackagingIII
PubChem ID9748
SMILESCC(C)CC1C(=O)N2CCCC2C2(O)OC(NC(=O)C3C=C4c5cccc6[nH]cc(c56)CC4N(C)C3)(C(C)C)C(=O)N12
InChIInChI=1S/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)
InChI KeyYDOTUXAWKBPQJW-NSLWYYNWSA-N
Hazard Symbols6.1(b)
Transport InfoProduct Name: α-Ergocryptine
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