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Details

Stereochemistry ABSOLUTE
Molecular Formula C46H43N5O10
Molecular Weight 825.8611
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BISPREHOMOTADALAFIL

SMILES

CCN(CC(=O)N1[C@H](CC2=C(NC3=C2C=CC=C3)[C@@H]1C4=CC=C5OCOC5=C4)C(=O)OC)CC(=O)N6[C@H](CC7=C(NC8=C7C=CC=C8)[C@@H]6C9=CC%10=C(OCO%10)C=C9)C(=O)OC

InChI

InChIKey=HXPQHEXUZQQJMO-RKTRKJHVSA-N
InChI=1S/C46H43N5O10/c1-4-49(21-39(52)50-33(45(54)56-2)19-29-27-9-5-7-11-31(27)47-41(29)43(50)25-13-15-35-37(17-25)60-23-58-35)22-40(53)51-34(46(55)57-3)20-30-28-10-6-8-12-32(28)48-42(30)44(51)26-14-16-36-38(18-26)61-24-59-36/h5-18,33-34,43-44,47-48H,4,19-24H2,1-3H3/t33-,34-,43+,44+/m1/s1

HIDE SMILES / InChI

Molecular Formula C46H43N5O10
Molecular Weight 825.8611
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
FT8JPL34R7
Record Status Validated (UNII)
Record Version