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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H36N2O3
Molecular Weight 424.5756
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SERGOLEXOLE

SMILES

[H][C@@]12CC3=CN(C(C)C)C4=CC=CC(=C34)[C@@]1([H])C[C@H](CN2C)C(=O)O[C@H]5CC[C@@H](CC5)OC

InChI

InChIKey=RJBJIKXTJIZONR-HSWWXKJFSA-N
InChI=1S/C26H36N2O3/c1-16(2)28-15-17-13-24-22(21-6-5-7-23(28)25(17)21)12-18(14-27(24)3)26(29)31-20-10-8-19(30-4)9-11-20/h5-7,15-16,18-20,22,24H,8-14H2,1-4H3/t18-,19-,20-,22-,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula C26H36N2O3
Molecular Weight 424.5756
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:55:27 UTC 2023
Edited
by admin
on Fri Dec 15 18:55:27 UTC 2023
Record UNII
J6TGA89COP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SERGOLEXOLE
INN  
INN  
Official Name English
TRANS-4-METHOXYCYCLOHEXYL 1-ISOPROPYL-6-METHYLERGOLINE-8.BETA.-CARBOXYLATE
Systematic Name English
sergolexole [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C66885
Created by admin on Fri Dec 15 18:55:27 UTC 2023 , Edited by admin on Fri Dec 15 18:55:27 UTC 2023
Code System Code Type Description
ChEMBL
CHEMBL2110594
Created by admin on Fri Dec 15 18:55:27 UTC 2023 , Edited by admin on Fri Dec 15 18:55:27 UTC 2023
PRIMARY
EPA CompTox
DTXSID10148700
Created by admin on Fri Dec 15 18:55:27 UTC 2023 , Edited by admin on Fri Dec 15 18:55:27 UTC 2023
PRIMARY
INN
6330
Created by admin on Fri Dec 15 18:55:27 UTC 2023 , Edited by admin on Fri Dec 15 18:55:27 UTC 2023
PRIMARY
PUBCHEM
60262
Created by admin on Fri Dec 15 18:55:27 UTC 2023 , Edited by admin on Fri Dec 15 18:55:27 UTC 2023
PRIMARY
MESH
C054583
Created by admin on Fri Dec 15 18:55:27 UTC 2023 , Edited by admin on Fri Dec 15 18:55:27 UTC 2023
PRIMARY
CAS
108674-86-8
Created by admin on Fri Dec 15 18:55:27 UTC 2023 , Edited by admin on Fri Dec 15 18:55:27 UTC 2023
PRIMARY
EVMPD
SUB10493MIG
Created by admin on Fri Dec 15 18:55:27 UTC 2023 , Edited by admin on Fri Dec 15 18:55:27 UTC 2023
PRIMARY
WIKIPEDIA
Sergolexole
Created by admin on Fri Dec 15 18:55:27 UTC 2023 , Edited by admin on Fri Dec 15 18:55:27 UTC 2023
PRIMARY
SMS_ID
100000084117
Created by admin on Fri Dec 15 18:55:27 UTC 2023 , Edited by admin on Fri Dec 15 18:55:27 UTC 2023
PRIMARY
NCI_THESAURUS
C152343
Created by admin on Fri Dec 15 18:55:27 UTC 2023 , Edited by admin on Fri Dec 15 18:55:27 UTC 2023
PRIMARY
FDA UNII
J6TGA89COP
Created by admin on Fri Dec 15 18:55:27 UTC 2023 , Edited by admin on Fri Dec 15 18:55:27 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY