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Details

Stereochemistry ABSOLUTE
Molecular Formula C32H41N5O5
Molecular Weight 575.6984
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ERGOCRYPTININE

SMILES

[H][C@@]12CCCN1C(=O)[C@H](CC(C)C)N3C(=O)[C@](NC(=O)[C@@H]4CN(C)[C@]5([H])CC6=CNC7=CC=CC(=C67)C5=C4)(O[C@@]23O)C(C)C

InChI

InChIKey=YDOTUXAWKBPQJW-JJANYQHSSA-N
InChI=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)/t20-,24+,25-,26-,31+,32-/m0/s1

HIDE SMILES / InChI
Molecular Formula C32H41N5O5
Molecular Weight 575.6984
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

Ergocryptinine is the ergot alkaloid. Ergotaminine, ergocryptinine, ergosinine and ergocorninine show vasoconstrictory effect, i.e. they cause the contraction of smooth muscles of blood vessels. Ergocryptinine shortened the duration of arrhythmia induced by adrenalin in rats. Ergocryptinine, ergocristinine and ergocorninine can be used in the treatment of arterial hypertension, heart insufficiency, heart arrhythmia and cephalalgia.

Originator

Approval Year

Unknown
139594
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Basic research
Unknown

Approved Use

Unknown
Primary
Basic research
Unknown

Approved Use

Unknown
PubMed

PubMed

TitleDatePubMed
Technical note: epimerization of ergopeptine alkaloids in organic and aqueous solvents.
2002 Jun
Occurrence of ergot alkaloids in wheat from Albania.
2017 Aug
Patents

Patents

CA2445502A1
2
US20120114741
1
US4440772
1
US5468486
1

Sample Use Guides

In Vivo Use Guide
Rats: The results of the experiments showed that the acid addition salts of ergotaminine, ergocryptinine and ergocorninine in a dose of 1.5 mg/kg of body weight caused a long-duration hypertension lasting more than 60 minutes.
Route of Administration: Intravenous
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:45:38 GMT 2023
Edited
by admin
on Fri Dec 15 19:45:38 GMT 2023
Record UNII
919K69S85N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ERGOCRYPTININE
Common Name English
.ALPHA.-ERGOKRYPTININE
Common Name English
.ALPHA.-ERGOCRYPTININE
MI  
Common Name English
ERGOTAMAN-3',6',18-TRIONE, 12'-HYDROXY-2'-(1-METHYLETHYL)-5'-(2-METHYLPROPYL)-, (5'.ALPHA.,8.ALPHA.)-
Common Name English
ISOERGOKRYPTINE
Common Name English
.ALPHA.-ERGOCRYPTININE [MI]
Common Name English
ERGOKRYPTININE
Common Name English
Code System Code Type Description
PUBCHEM
10875520
Created by admin on Fri Dec 15 19:45:38 GMT 2023 , Edited by admin on Fri Dec 15 19:45:38 GMT 2023
PRIMARY
MERCK INDEX
m4978
Created by admin on Fri Dec 15 19:45:38 GMT 2023 , Edited by admin on Fri Dec 15 19:45:38 GMT 2023
PRIMARY Merck Index
EPA CompTox
DTXSID00891859
Created by admin on Fri Dec 15 19:45:38 GMT 2023 , Edited by admin on Fri Dec 15 19:45:38 GMT 2023
PRIMARY
FDA UNII
919K69S85N
Created by admin on Fri Dec 15 19:45:38 GMT 2023 , Edited by admin on Fri Dec 15 19:45:38 GMT 2023
PRIMARY
ECHA (EC/EINECS)
208-122-8
Created by admin on Fri Dec 15 19:45:38 GMT 2023 , Edited by admin on Fri Dec 15 19:45:38 GMT 2023
PRIMARY
CAS
511-10-4
Created by admin on Fri Dec 15 19:45:38 GMT 2023 , Edited by admin on Fri Dec 15 19:45:38 GMT 2023
PRIMARY
NIH
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