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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H27N3O2
Molecular Weight 353.458
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYSERGIDE

SMILES

[H][C@@]12CC3=CN(C)C4=C3C(=CC=C4)C1=C[C@H](CN2C)C(=O)N[C@@H](CC)CO

InChI

InChIKey=KPJZHOPZRAFDTN-ZRGWGRIASA-N
InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1

HIDE SMILES / InChI
Molecular Formula C21H27N3O2
Molecular Weight 353.458
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Sat Dec 16 17:19:23 UTC 2023
Edited
by admin
on Sat Dec 16 17:19:23 UTC 2023
Record UNII
XZA9HY6Z98
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYSERGIDE
HSDB   INN   MART.   MI   USAN   VANDF   WHO-DD  
INN   USAN  
Official Name English
METHYSERGIDE [MI]
Common Name English
METHYSERGIDE [HSDB]
Common Name English
METHYSERGIDE [VANDF]
Common Name English
methysergide [INN]
Common Name English
(8β)-9,10-Didehydro-N-[(1S)-1-(hydroxymethyl)propyl]-1,6-dimethylergoline-8-carboxamide
Systematic Name English
METHYSERGIDE [USAN]
Common Name English
METHYSERGIDE [MART.]
Common Name English
Methysergide [WHO-DD]
Common Name English
ERGOMETRINE MALEATE IMPURITY G [EP IMPURITY]
Common Name English
(8β)-N-[(2S)-1-hydroxybutan-2-yl]-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C47794
Created by admin on Sat Dec 16 17:19:24 UTC 2023 , Edited by admin on Sat Dec 16 17:19:24 UTC 2023
LIVERTOX 628
Created by admin on Sat Dec 16 17:19:24 UTC 2023 , Edited by admin on Sat Dec 16 17:19:24 UTC 2023
WHO-VATC QN02CA04
Created by admin on Sat Dec 16 17:19:24 UTC 2023 , Edited by admin on Sat Dec 16 17:19:24 UTC 2023
WHO-ATC N02CA04
Created by admin on Sat Dec 16 17:19:24 UTC 2023 , Edited by admin on Sat Dec 16 17:19:24 UTC 2023
Code System Code Type Description
FDA UNII
XZA9HY6Z98
Created by admin on Sat Dec 16 17:19:24 UTC 2023 , Edited by admin on Sat Dec 16 17:19:24 UTC 2023
PRIMARY
SMS_ID
100000092396
Created by admin on Sat Dec 16 17:19:24 UTC 2023 , Edited by admin on Sat Dec 16 17:19:24 UTC 2023
PRIMARY
PUBCHEM
9681
Created by admin on Sat Dec 16 17:19:24 UTC 2023 , Edited by admin on Sat Dec 16 17:19:24 UTC 2023
PRIMARY
RXCUI
6911
Created by admin on Sat Dec 16 17:19:24 UTC 2023 , Edited by admin on Sat Dec 16 17:19:24 UTC 2023
PRIMARY RxNorm
CHEBI
584020
Created by admin on Sat Dec 16 17:19:24 UTC 2023 , Edited by admin on Sat Dec 16 17:19:24 UTC 2023
PRIMARY
MERCK INDEX
m7483
Created by admin on Sat Dec 16 17:19:24 UTC 2023 , Edited by admin on Sat Dec 16 17:19:24 UTC 2023
PRIMARY Merck Index
ECHA (EC/EINECS)
206-644-0
Created by admin on Sat Dec 16 17:19:24 UTC 2023 , Edited by admin on Sat Dec 16 17:19:24 UTC 2023
PRIMARY
CAS
361-37-5
Created by admin on Sat Dec 16 17:19:24 UTC 2023 , Edited by admin on Sat Dec 16 17:19:24 UTC 2023
PRIMARY
NCI_THESAURUS
C66123
Created by admin on Sat Dec 16 17:19:24 UTC 2023 , Edited by admin on Sat Dec 16 17:19:24 UTC 2023
PRIMARY
EVMPD
SUB08880MIG
Created by admin on Sat Dec 16 17:19:24 UTC 2023 , Edited by admin on Sat Dec 16 17:19:24 UTC 2023
PRIMARY
DRUG BANK
DB00247
Created by admin on Sat Dec 16 17:19:24 UTC 2023 , Edited by admin on Sat Dec 16 17:19:24 UTC 2023
PRIMARY
ChEMBL
CHEMBL1065
Created by admin on Sat Dec 16 17:19:24 UTC 2023 , Edited by admin on Sat Dec 16 17:19:24 UTC 2023
PRIMARY
WIKIPEDIA
METHYSERGIDE
Created by admin on Sat Dec 16 17:19:24 UTC 2023 , Edited by admin on Sat Dec 16 17:19:24 UTC 2023
PRIMARY
DRUG CENTRAL
1775
Created by admin on Sat Dec 16 17:19:24 UTC 2023 , Edited by admin on Sat Dec 16 17:19:24 UTC 2023
PRIMARY
EPA CompTox
DTXSID2023307
Created by admin on Sat Dec 16 17:19:24 UTC 2023 , Edited by admin on Sat Dec 16 17:19:24 UTC 2023
PRIMARY
INN
1000
Created by admin on Sat Dec 16 17:19:24 UTC 2023 , Edited by admin on Sat Dec 16 17:19:24 UTC 2023
PRIMARY
MESH
D008784
Created by admin on Sat Dec 16 17:19:24 UTC 2023 , Edited by admin on Sat Dec 16 17:19:24 UTC 2023
PRIMARY
IUPHAR
134
Created by admin on Sat Dec 16 17:19:24 UTC 2023 , Edited by admin on Sat Dec 16 17:19:24 UTC 2023
PRIMARY
Related Record Type Details
5-HYDROXYTRYPTAMINE RECEPTOR 2A
TARGET -> INHIBITOR
Structure of METHYSERGIDE DIMALEATE
SALT/SOLVATE -> PARENT
Structure of METHYSERGIDE MALEATE
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of ERGONOVINE MALEATE
PARENT -> IMPURITY
Related Record Type Details
Structure of METHYSERGIDE
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