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Ergocryptine

Ergocryptine structure

CAS No:
511-09-1
Formula:
C32H41N5O5
Chemical Name:
Ergocryptine
Synonyms:
Ergotaman-3′,6′,18-trione,12′-hydroxy-2′-(1-methylethyl)-5′-(2-methylpropyl)-,(5′α)-;Ergocryptine;Indolo[4,3-fg]quinoline,ergotaman-3′,6′,18-trione deriv.;8H-Oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine,ergotaman-3′,6′,18-trione deriv.;(5′α)-12′-Hydroxy-2′-(1-methylethyl)-5′-(2-methylpropyl)ergotaman-3′,6′,18-trione;α-Ergocryptine;Ergokryptine;α-Ergokryptine;NSC 169479;NSC 407319;1367-70-0;22937-54-8;26290-85-7;28580-46-3;148043-10-1
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

Pale Yellow Solid

Alpha-ergocryptine is ergotaman bearing hydroxy, isopropyl, and 2-methylpropyl groups at the 12', 2' and 5' positions, respectively, and oxo groups at positions 3', 6', and 18. It is a natural ergot alkaloid. Ergocryptine discussed in the literature prior to 1967, when beta-ergocryptine was separated from alpha-ergocryptine, is now referred to as alpha-ergocryptine. It derives from a hydride of an ergotaman.

Ergocryptine Basic Attributes

Molecular Weight：

575.7

Exact Mass：

575.70

EC Number：

208-121-2

UNII：

6WFB60157B

Characteristics

PSA：

118

XLogP3：

4.08

Density：

1.4±0.1 g/cm3

Melting Point：

212 °C (decomp)

Boiling Point：

861.7±65.0 °C at 760 mmHg

Flash Point：

475.0±34.3 °C

Refractive Index：

1.681

Water Solubility：

45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 0.3 mg/mL

Storage Conditions：

−20°C

Specific rotation：

D20 -120° (pyridine); -198° (chloroform)

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

UN 1544 6.1/PG 3

wgk germany：

hazard class code：

safety instructions：

36/37

RTECS Number：

KE1400000

Marks：

Precautionary statement(s)：

P201, P202, P281, P308+P313, P405, P501

Hazard Statements：

H361

Drug Information

MeSH：

Drugs that bind to and activate dopamine receptors. (See all compounds classified as Dopamine Agonists.)

MeSH Entry Terms：

alpha-ergocryptine

Ergocryptine Use and Manufacturing

An impurity of 2-Bromo α-Ergocriptine Mesylate (B682600).

Computed Properties

Molecular Weight:575.7
XLogP3:2.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:575.31076943
Monoisotopic Mass:575.31076943
Topological Polar Surface Area:118
Heavy Atom Count:42
Complexity:1190
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 511-09-1

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