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Details

Stereochemistry MIXED
Molecular Formula C28H31NO3S.ClH
Molecular Weight 498.077
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4-DIHYDRO-7-METHOXY-3-PHENYL-4-HYDROXY-4-(P-(2-(1-PYRROLIDYL)ETHOXY)PHENYL)-2H-1-BENZOTHIAPYRAN HYDROCHLORIDE

SMILES

Cl.COC1=CC2=C(C=C1)C(O)(C(CS2)C3=CC=CC=C3)C4=CC=C(OCCN5CCCC5)C=C4

InChI

InChIKey=DLMLIHTZOIAPPS-UHFFFAOYSA-N
InChI=1S/C28H31NO3S.ClH/c1-31-24-13-14-25-27(19-24)33-20-26(21-7-3-2-4-8-21)28(25,30)22-9-11-23(12-10-22)32-18-17-29-15-5-6-16-29;/h2-4,7-14,19,26,30H,5-6,15-18,20H2,1H3;1H

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
4-THIOCHROMANOL, 7-METHOXY-3-PHENYL-4-(P-(2-(1-PYRROLIDINYL)ETHOXY)PHENYL)-, HYDROCHLORIDE
Preferred Name English
3,4-DIHYDRO-7-METHOXY-3-PHENYL-4-HYDROXY-4-(P-(2-(1-PYRROLIDYL)ETHOXY)PHENYL)-2H-1-BENZOTHIAPYRAN HYDROCHLORIDE
Common Name English
2H-1-BENZOTHIOPYRAN-4-OL, 3,4-DIHYDRO-7-METHOXY-3-PHENYL-4-(4-(2-(1-PYRROLIDINYL)ETHOXY)PHENYL)-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
1XHI546Y1B
Created by admin on Tue Apr 01 16:40:08 GMT 2025 , Edited by admin on Tue Apr 01 16:40:08 GMT 2025
PRIMARY
CAS
16879-01-9
Created by admin on Tue Apr 01 16:40:08 GMT 2025 , Edited by admin on Tue Apr 01 16:40:08 GMT 2025
PRIMARY
PUBCHEM
28120
Created by admin on Tue Apr 01 16:40:08 GMT 2025 , Edited by admin on Tue Apr 01 16:40:08 GMT 2025
PRIMARY
EPA CompTox
DTXSID40937548
Created by admin on Tue Apr 01 16:40:08 GMT 2025 , Edited by admin on Tue Apr 01 16:40:08 GMT 2025
PRIMARY
NIH
NCATS
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