U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C33H43N5O5
Molecular Weight 589.725
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MERGOCRIPTINE

SMILES

[H][C@@]12CCCN1C(=O)[C@H](CC(C)C)N3C(=O)[C@](NC(=O)[C@H]4CN(C)[C@]5([H])CC6=C(C)NC7=C6C(=CC=C7)C5=C4)(O[C@@]23O)C(C)C

InChI

InChIKey=AFFLEALSHYGOOD-NOURLPFCSA-N
InChI=1S/C33H43N5O5/c1-17(2)13-26-30(40)37-12-8-11-27(37)33(42)38(26)31(41)32(43-33,18(3)4)35-29(39)20-14-23-21-9-7-10-24-28(21)22(19(5)34-24)15-25(23)36(6)16-20/h7,9-10,14,17-18,20,25-27,34,42H,8,11-13,15-16H2,1-6H3,(H,35,39)/t20-,25-,26+,27+,32-,33+/m1/s1

HIDE SMILES / InChI

Molecular Formula C33H43N5O5
Molecular Weight 589.725
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Mergocriptine (2-methyl-a-ergocryptine or CBM36-733) is a synthetic long-acting ergot derivative. It exerts agonistic action at dopamine receptors. Mergocryptine may induce the suppression of striatal dopamine turnover by reducing dopamine release via the stimulation of presynaptic dopaminergic autoreceptors. In animal experiments, it may affect cerebral hemodynamics. Mergocriptine has a protective effect on the brain against ischemia.

CNS Activity

Curator's Comment: Mergocriptine is CNS active in animals. No human data available.

Approval Year

PubMed

PubMed

TitleDatePubMed
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:55:21 GMT 2023
Edited
by admin
on Fri Dec 15 18:55:21 GMT 2023
Record UNII
VXD47YRH4Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MERGOCRIPTINE
INN  
INN  
Official Name English
mergocriptine [INN]
Common Name English
CBM36-733
Common Name English
2-METHYL-.ALPHA.-ERGOCRYPTINE
Common Name English
CBM 36-733
Common Name English
Code System Code Type Description
PUBCHEM
54803
Created by admin on Fri Dec 15 18:55:21 GMT 2023 , Edited by admin on Fri Dec 15 18:55:21 GMT 2023
PRIMARY
EPA CompTox
DTXSID501002339
Created by admin on Fri Dec 15 18:55:21 GMT 2023 , Edited by admin on Fri Dec 15 18:55:21 GMT 2023
PRIMARY
EVMPD
SUB08775MIG
Created by admin on Fri Dec 15 18:55:21 GMT 2023 , Edited by admin on Fri Dec 15 18:55:21 GMT 2023
PRIMARY
SMS_ID
100000081711
Created by admin on Fri Dec 15 18:55:21 GMT 2023 , Edited by admin on Fri Dec 15 18:55:21 GMT 2023
PRIMARY
FDA UNII
VXD47YRH4Q
Created by admin on Fri Dec 15 18:55:21 GMT 2023 , Edited by admin on Fri Dec 15 18:55:21 GMT 2023
PRIMARY
ChEMBL
CHEMBL2105887
Created by admin on Fri Dec 15 18:55:21 GMT 2023 , Edited by admin on Fri Dec 15 18:55:21 GMT 2023
PRIMARY
NCI_THESAURUS
C170163
Created by admin on Fri Dec 15 18:55:21 GMT 2023 , Edited by admin on Fri Dec 15 18:55:21 GMT 2023
PRIMARY
CAS
81968-16-3
Created by admin on Fri Dec 15 18:55:21 GMT 2023 , Edited by admin on Fri Dec 15 18:55:21 GMT 2023
PRIMARY
INN
5762
Created by admin on Fri Dec 15 18:55:21 GMT 2023 , Edited by admin on Fri Dec 15 18:55:21 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY