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Details

Stereochemistry ABSOLUTE
Molecular Formula C38H42N6O6S2
Molecular Weight 742.907
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NAVAFENTEROL

SMILES

CN(CCCN1N=NC2=CC(CNC[C@H](O)C3=CC=C(O)C4=C3C=CC(=O)N4)=CC=C12)[C@H]5CC[C@@H](CC5)OC(=O)C(O)(C6=CC=CS6)C7=CC=CS7

InChI

InChIKey=ZNKWRAKPQQZLNX-ZDQHWEPJSA-N
InChI=1S/C38H42N6O6S2/c1-43(25-8-10-26(11-9-25)50-37(48)38(49,33-5-2-19-51-33)34-6-3-20-52-34)17-4-18-44-30-14-7-24(21-29(30)41-42-44)22-39-23-32(46)27-12-15-31(45)36-28(27)13-16-35(47)40-36/h2-3,5-7,12-16,19-21,25-26,32,39,45-46,49H,4,8-11,17-18,22-23H2,1H3,(H,40,47)/t25-,26-,32-/m0/s1

HIDE SMILES / InChI

Molecular Formula C38H42N6O6S2
Molecular Weight 742.907
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
U29GY32XJ4
Record Status Validated (UNII)
Record Version