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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H29N3O4S.2ClH
Molecular Weight 552.515
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of L-643717

SMILES

COc1ccc(CCNC[C@@]([H])(COc2ccc(cc2)-c3[nH]cc(-c4cccs4)n3)O)cc1OC.Cl.Cl

InChI

InChIKey=FUNPLUUFCGTLEV-FJSYBICCSA-N
InChI=1S/C26H29N3O4S.2ClH/c1-31-23-10-5-18(14-24(23)32-2)11-12-27-15-20(30)17-33-21-8-6-19(7-9-21)26-28-16-22(29-26)25-4-3-13-34-25;;/h3-10,13-14,16,20,27,30H,11-12,15,17H2,1-2H3,(H,28,29);2*1H/t20-;;/m0../s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.4609
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C26H29N3O4S
Molecular Weight 479.5932
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 13:11:51 UTC 2021
Edited
by admin
on Sat Jun 26 13:11:51 UTC 2021
Record UNII
TXX3AK0HXY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
L-643717
Code English
2-PROPANOL, 1-((2-(3,4-DIMETHOXYPHENYL)ETHYL)AMINO)-3-(4-(4-(2-THIENYL)-1H-IMIDAZOL-2-YL)PHENOXY)-, DIHYDROCHLORIDE, (2S)-
Systematic Name English
(S)-1-((2-(3,4-DIMETHOXYPHENYL)ETHYL)AMINO)-3-(4-(4-(2-THIENYL)-1H-IMIDAZOL-2-YL)PHENOXY)-2-PROPANOL DIHYDROCHLORIDE
Systematic Name English
Code System Code Type Description
FDA UNII
TXX3AK0HXY
Created by admin on Sat Jun 26 13:11:51 UTC 2021 , Edited by admin on Sat Jun 26 13:11:51 UTC 2021
PRIMARY
CAS
85648-09-5
Created by admin on Sat Jun 26 13:11:51 UTC 2021 , Edited by admin on Sat Jun 26 13:11:51 UTC 2021
PRIMARY
PUBCHEM
13157385
Created by admin on Sat Jun 26 13:11:51 UTC 2021 , Edited by admin on Sat Jun 26 13:11:51 UTC 2021
PRIMARY
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