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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H29N3O4S
Molecular Weight 479.591
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of L-643717 FREE BASE

SMILES

COC1=C(OC)C=C(CCNC[C@H](O)COC2=CC=C(C=C2)C3=NC(=CN3)C4=CC=CS4)C=C1

InChI

InChIKey=FDVHRNJEBIWFEM-FQEVSTJZSA-N
InChI=1S/C26H29N3O4S/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)/t20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H29N3O4S
Molecular Weight 479.591
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 Dec 16 14:02:35 GMT 2023
Edited
by admin
on Sat Dec 16 14:02:35 GMT 2023
Record UNII
N2822NU8E4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
L-643717 FREE BASE
Code English
(S)-1-((2-(3,4-DIMETHOXYPHENYL)ETHYL)AMINO)-3-(4-(4-(2-THIENYL)-1H-IMIDAZOL-2-YL)PHENOXY)-2-PROPANOL
Systematic Name English
2-PROPANOL, 1-((2-(3,4-DIMETHOXYPHENYL)ETHYL)AMINO)-3-(4-(4-(2-THIENYL)-1H-IMIDAZOL-2-YL)PHENOXY)-, (S)-
Systematic Name English
Code System Code Type Description
FDA UNII
N2822NU8E4
Created by admin on Sat Dec 16 14:02:35 GMT 2023 , Edited by admin on Sat Dec 16 14:02:35 GMT 2023
PRIMARY
PUBCHEM
13157386
Created by admin on Sat Dec 16 14:02:35 GMT 2023 , Edited by admin on Sat Dec 16 14:02:35 GMT 2023
PRIMARY
CAS
85648-13-1
Created by admin on Sat Dec 16 14:02:35 GMT 2023 , Edited by admin on Sat Dec 16 14:02:35 GMT 2023
PRIMARY
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ACTIVE MOIETY