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Details

Stereochemistry RACEMIC
Molecular Formula C27H31FN2O5
Molecular Weight 482.5438
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SAGANDIPINE

SMILES

COC(=O)C1=C(C)NC(C)=C(C1C2=C(F)C=CC=C2)C(=O)OCC3=CC=C(CN4CCCCC4)O3

InChI

InChIKey=BFLVNSZFGLVPLU-UHFFFAOYSA-N
InChI=1S/C27H31FN2O5/c1-17-23(26(31)33-3)25(21-9-5-6-10-22(21)28)24(18(2)29-17)27(32)34-16-20-12-11-19(35-20)15-30-13-7-4-8-14-30/h5-6,9-12,25,29H,4,7-8,13-16H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C27H31FN2O5
Molecular Weight 482.5438
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:29:01 GMT 2025
Edited
by admin
on Mon Mar 31 18:29:01 GMT 2025
Record UNII
20O65J0B72
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
sagandipine [INN]
Preferred Name English
SAGANDIPINE
INN  
INN  
Official Name English
Classification Tree Code System Code
NCI_THESAURUS C333
Created by admin on Mon Mar 31 18:29:01 GMT 2025 , Edited by admin on Mon Mar 31 18:29:01 GMT 2025
Code System Code Type Description
EPA CompTox
DTXSID50925496
Created by admin on Mon Mar 31 18:29:01 GMT 2025 , Edited by admin on Mon Mar 31 18:29:01 GMT 2025
PRIMARY
ChEMBL
CHEMBL2107491
Created by admin on Mon Mar 31 18:29:01 GMT 2025 , Edited by admin on Mon Mar 31 18:29:01 GMT 2025
PRIMARY
CAS
126294-30-2
Created by admin on Mon Mar 31 18:29:01 GMT 2025 , Edited by admin on Mon Mar 31 18:29:01 GMT 2025
PRIMARY
PUBCHEM
3058740
Created by admin on Mon Mar 31 18:29:01 GMT 2025 , Edited by admin on Mon Mar 31 18:29:01 GMT 2025
PRIMARY
SMS_ID
100000084392
Created by admin on Mon Mar 31 18:29:01 GMT 2025 , Edited by admin on Mon Mar 31 18:29:01 GMT 2025
PRIMARY
EVMPD
SUB10414MIG
Created by admin on Mon Mar 31 18:29:01 GMT 2025 , Edited by admin on Mon Mar 31 18:29:01 GMT 2025
PRIMARY
NCI_THESAURUS
C73028
Created by admin on Mon Mar 31 18:29:01 GMT 2025 , Edited by admin on Mon Mar 31 18:29:01 GMT 2025
PRIMARY
FDA UNII
20O65J0B72
Created by admin on Mon Mar 31 18:29:01 GMT 2025 , Edited by admin on Mon Mar 31 18:29:01 GMT 2025
PRIMARY
INN
6671
Created by admin on Mon Mar 31 18:29:01 GMT 2025 , Edited by admin on Mon Mar 31 18:29:01 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY