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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H33N3O6
Molecular Weight 483.5567
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ECASTOLOL, (S)-

SMILES

CCCC(=O)NC1=CC=C(OC[C@@H](O)CNCCC2=CC=C(OC)C(OC)=C2)C(=C1)C3=CC=NO3

InChI

InChIKey=CGUIWXDBHIFQJV-FQEVSTJZSA-N
InChI=1S/C26H33N3O6/c1-4-5-26(31)29-19-7-9-22(21(15-19)23-11-13-28-35-23)34-17-20(30)16-27-12-10-18-6-8-24(32-2)25(14-18)33-3/h6-9,11,13-15,20,27,30H,4-5,10,12,16-17H2,1-3H3,(H,29,31)/t20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H33N3O6
Molecular Weight 483.5567
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
LDW95V8PGG
Record Status Validated (UNII)
Record Version