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Details

Stereochemistry ACHIRAL
Molecular Formula C25H26ClNO4S.C4H4O4
Molecular Weight 588.068
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of SB-773812 MALEATE

SMILES

OC(=O)\C=C/C(O)=O.COC1=C(C=C2CCN(C)CCC2=C1)S(=O)(=O)C3=CC=C(OCC4=CC=C(Cl)C=C4)C=C3

InChI

InChIKey=FJROTJLEHTXBIN-BTJKTKAUSA-N
InChI=1S/C25H26ClNO4S.C4H4O4/c1-27-13-11-19-15-24(30-2)25(16-20(19)12-14-27)32(28,29)23-9-7-22(8-10-23)31-17-18-3-5-21(26)6-4-18;5-3(6)1-2-4(7)8/h3-10,15-16H,11-14,17H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

HIDE SMILES / InChI

Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula C25H26ClNO4S
Molecular Weight 471.996
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Oct 22 08:04:31 UTC 2019
Edited
by admin
on Tue Oct 22 08:04:31 UTC 2019
Record UNII
MJB5AWG007
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SB-773812 MALEATE
Code English
SB773812 MALEATE
Code English
1H-3-BENZAZEPINE, 7-((4-((4-CHLOROPHENYL)METHOXY)PHENYL)SULFONYL)-2,3,4,5-TETRAHYDRO-8-METHOXY-3-METHYL-, MALEATE
Systematic Name English
Code System Code Type Description
CAS
853402-95-6
Created by admin on Tue Oct 22 08:04:31 UTC 2019 , Edited by admin on Tue Oct 22 08:04:31 UTC 2019
PRIMARY
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