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Details

Stereochemistry ABSOLUTE
Molecular Formula C34H38Cl2N2O6S.ClH
Molecular Weight 710.107
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CS-003

SMILES

Cl.COC1=CC(=CC(OC)=C1OC)C(=O)N2CCO[C@@](CCN3CCC4(CC3)[S@@+]([O-])CC5=CC=CC=C45)(C2)C6=CC=C(Cl)C(Cl)=C6

InChI

InChIKey=IHDDYKNRVLPVEV-FFKPOUSOSA-N
InChI=1S/C34H38Cl2N2O6S.ClH/c1-41-29-18-24(19-30(42-2)31(29)43-3)32(39)38-16-17-44-33(22-38,25-8-9-27(35)28(36)20-25)10-13-37-14-11-34(12-15-37)26-7-5-4-6-23(26)21-45(34)40;/h4-9,18-20H,10-17,21-22H2,1-3H3;1H/t33-,45-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
CS-003
Code English
(+)-R-113281
Preferred Name English
METHANONE, ((2R)-2-(3,4-DICHLOROPHENYL)-2-(2-((2S)-2-OXIDOSPIRO(BENZO(C)THIOPHENE-1(3H),4'-PIPERIDIN)-1'-YL)ETHYL)-4-MORPHOLINYL)(3,4,5-TRIMETHOXYPHENYL)-, HYDROCHLORIDE (1:1)
Systematic Name English
R-113281
Code English
MORPHOLINE, 2-(3,4-DICHLOROPHENYL)-2-(2-((2S)-2-OXIDOSPIRO(BENZO(C)THIOPHENE-1(3H),4'-PIPERIDIN)-1'-YL)ETHYL)-4-(3,4,5-TRIMETHOXYBENZOYL)-, MONOHYDROCHLORIDE, (2R)-
Systematic Name English
Code System Code Type Description
CAS
216776-73-7
Created by admin on Mon Mar 31 18:03:29 GMT 2025 , Edited by admin on Mon Mar 31 18:03:29 GMT 2025
PRIMARY
CAS
912942-58-6
Created by admin on Mon Mar 31 18:03:29 GMT 2025 , Edited by admin on Mon Mar 31 18:03:29 GMT 2025
SUPERSEDED
PUBCHEM
9831640
Created by admin on Mon Mar 31 18:03:29 GMT 2025 , Edited by admin on Mon Mar 31 18:03:29 GMT 2025
PRIMARY
FDA UNII
W4Z4RE0JZQ
Created by admin on Mon Mar 31 18:03:29 GMT 2025 , Edited by admin on Mon Mar 31 18:03:29 GMT 2025
PRIMARY