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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H31NO4S
Molecular Weight 417.562
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 264W94

SMILES

CCCC[C@]1(CC)CS(=O)(=O)C2=CC(OC)=C(OC)C=C2[C@H](N1)C3=CC=CC=C3

InChI

InChIKey=CKFWDLFFXXVSBJ-DHIUTWEWSA-N
InChI=1S/C23H31NO4S/c1-5-7-13-23(6-2)16-29(25,26)21-15-20(28-4)19(27-3)14-18(21)22(24-23)17-11-9-8-10-12-17/h8-12,14-15,22,24H,5-7,13,16H2,1-4H3/t22-,23-/m1/s1

HIDE SMILES / InChI

Molecular Formula C23H31NO4S
Molecular Weight 417.562
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:24:27 GMT 2023
Edited
by admin
on Sat Dec 16 14:24:27 GMT 2023
Record UNII
8GYW8T88JI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
264W94
Code English
1,4-BENZOTHIAZEPINE, 3-BUTYL-3-ETHYL-2,3,4,5-TETRAHYDRO-7,8-DIMETHOXY-5-PHENYL-, 1,1-DIOXIDE, (3R-TRANS)-
Systematic Name English
1,4-BENZOTHIAZEPINE, 3-BUTYL-3-ETHYL-2,3,4,5-TETRAHYDRO-7,8-DIMETHOXY-5-PHENYL-, 1,1-DIOXIDE, (3R,5R)-
Systematic Name English
(-)-(3R,5R)-TRANS-3-BUTYL-3-ETHYL-2,3,4,5-TETRAHYDRO-7,8-DIMETHOXY-5-PHENYL-1,4-BENZOTHIAZEPINE, 1,1-DIOXIDE
Systematic Name English
Code System Code Type Description
CAS
178961-24-5
Created by admin on Sat Dec 16 14:24:27 GMT 2023 , Edited by admin on Sat Dec 16 14:24:27 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
8GYW8T88JI
Created by admin on Sat Dec 16 14:24:27 GMT 2023 , Edited by admin on Sat Dec 16 14:24:27 GMT 2023
PRIMARY
CAS
178259-25-1
Created by admin on Sat Dec 16 14:24:27 GMT 2023 , Edited by admin on Sat Dec 16 14:24:27 GMT 2023
PRIMARY
PUBCHEM
9823277
Created by admin on Sat Dec 16 14:24:27 GMT 2023 , Edited by admin on Sat Dec 16 14:24:27 GMT 2023
PRIMARY
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