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Details

Stereochemistry RACEMIC
Molecular Formula C19H19ClN2OS.C4H4O4
Molecular Weight 474.957
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0
Stereo Comments Assumed racemic

SHOW SMILES / InChI
Structure of 2-CHLORO-10-OXO-11-(4-METHYL-1-PIPERAZINYL)-11H-DIBENZ(B,F)THIEPIN FUMARATE

SMILES

OC(=O)\C=C\C(O)=O.CN1CCN(CC1)C2C3=C(SC4=C(C=CC=C4)C2=O)C=CC(Cl)=C3

InChI

InChIKey=DBWCOVAYARBIPD-WLHGVMLRSA-N
InChI=1S/C19H19ClN2OS.C4H4O4/c1-21-8-10-22(11-9-21)18-15-12-13(20)6-7-17(15)24-16-5-3-2-4-14(16)19(18)23;5-3(6)1-2-4(7)8/h2-7,12,18H,8-11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
2-CHLORO-10-OXO-11-(4-METHYL-1-PIPERAZINYL)-11H-DIBENZ(B,F)THIEPIN FUMARATE
Systematic Name English
DIBENZO(B,F)THIEPIN-10(11H)-ONE, 2-CHLORO-11-(4-METHYL-1-PIPERAZINYL)-, FUMARATE (1:1)
Systematic Name English
2-CHLORO-10-OXO-11-(4'-METHYL-1'-PIPERAZINYL)DIBENZ(B,F)THIEPIN FUMARATE
Systematic Name English
Code System Code Type Description
CAS
23240-04-2
Created by admin on Fri Dec 15 15:26:10 GMT 2023 , Edited by admin on Fri Dec 15 15:26:10 GMT 2023
PRIMARY
FDA UNII
OZ7C5KSS3I
Created by admin on Fri Dec 15 15:26:10 GMT 2023 , Edited by admin on Fri Dec 15 15:26:10 GMT 2023
PRIMARY
PUBCHEM
131801047
Created by admin on Fri Dec 15 15:26:10 GMT 2023 , Edited by admin on Fri Dec 15 15:26:10 GMT 2023
PRIMARY
PARENT (SALT/SOLVATE)
Structure of Fumaric acid
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