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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H31N3O2
Molecular Weight 417.5442
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(4-((2S,5S)-2,5-BIS(4-AMINOPHENYL)PYRROLIDIN-1-YL)PHENYL)-2-METHYLPROPANE-1,3-DIOL

SMILES

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

InChI

InChIKey=LCSAMSMLFBIFBV-DQEYMECFSA-N
InChI=1S/C26H31N3O2/c1-26(16-30,17-31)20-6-12-23(13-7-20)29-24(18-2-8-21(27)9-3-18)14-15-25(29)19-4-10-22(28)11-5-19/h2-13,24-25,30-31H,14-17,27-28H2,1H3/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 09:06:47 UTC 2021
Edited
by admin
on Sat Jun 26 09:06:47 UTC 2021
Record UNII
SW2SRT31GM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(4-((2S,5S)-2,5-BIS(4-AMINOPHENYL)PYRROLIDIN-1-YL)PHENYL)-2-METHYLPROPANE-1,3-DIOL
Systematic Name English
OMBITASVIR METABOLITE M25
Common Name English
Code System Code Type Description
FDA UNII
SW2SRT31GM
Created by admin on Sat Jun 26 09:06:47 UTC 2021 , Edited by admin on Sat Jun 26 09:06:47 UTC 2021
PRIMARY
PUBCHEM
138454999
Created by admin on Sat Jun 26 09:06:47 UTC 2021 , Edited by admin on Sat Jun 26 09:06:47 UTC 2021
PRIMARY
Related Record Type Details
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