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Details

Stereochemistry ACHIRAL
Molecular Formula C18H14N4O5S
Molecular Weight 398.393
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of SULFASALAZINE 3-ISOMER

SMILES

OC(=O)C1=CC=CC(\N=N\C2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=C3)=C1O

InChI

InChIKey=RQKGJJSJEOATBZ-QZQOTICOSA-N
InChI=1S/C18H14N4O5S/c23-17-14(18(24)25)4-3-5-15(17)21-20-12-7-9-13(10-8-12)28(26,27)22-16-6-1-2-11-19-16/h1-11,23H,(H,19,22)(H,24,25)/b21-20+

HIDE SMILES / InChI

Molecular Formula C18H14N4O5S
Molecular Weight 398.393
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
657BS640RM
Record Status Validated (UNII)
Record Version