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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H31N3O
Molecular Weight 401.5448
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-((2S,5S)-2,5-BIS(4-AMINOPHENYL)-1-PYRROLIDINYL)-.BETA.,.BETA.-DIMETHYLBENZENEETHANOL

SMILES

CC(C)(CO)c1ccc(cc1)N2[C@@]([H])(CC[C@@]2([H])c3ccc(cc3)N)c4ccc(cc4)N

InChI

InChIKey=PLCVILNOWXYWLS-DQEYMECFSA-N
InChI=1S/C26H31N3O/c1-26(2,17-30)20-7-13-23(14-8-20)29-24(18-3-9-21(27)10-4-18)15-16-25(29)19-5-11-22(28)12-6-19/h3-14,24-25,30H,15-17,27-28H2,1-2H3/t24-,25-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H31N3O
Molecular Weight 401.5448
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 05:45:38 UTC 2021
Edited
by admin
on Sat Jun 26 05:45:38 UTC 2021
Record UNII
FD5F6TKL2I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-((2S,5S)-2,5-BIS(4-AMINOPHENYL)-1-PYRROLIDINYL)-.BETA.,.BETA.-DIMETHYLBENZENEETHANOL
Systematic Name English
BENZENEETHANOL, 4-((2S,5S)-2,5-BIS(4-AMINOPHENYL)-1-PYRROLIDINYL)-.BETA.,.BETA.-DIMETHYL-
Systematic Name English
OMBITASVIR METABOLITE M26
Common Name English
Code System Code Type Description
PUBCHEM
67236501
Created by admin on Sat Jun 26 05:45:38 UTC 2021 , Edited by admin on Sat Jun 26 05:45:38 UTC 2021
PRIMARY
FDA UNII
FD5F6TKL2I
Created by admin on Sat Jun 26 05:45:38 UTC 2021 , Edited by admin on Sat Jun 26 05:45:38 UTC 2021
PRIMARY
CAS
1258234-81-9
Created by admin on Sat Jun 26 05:45:38 UTC 2021 , Edited by admin on Sat Jun 26 05:45:38 UTC 2021
PRIMARY
Related Record Type Details
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