CP-804S/T

Details

Stereochemistry	RACEMIC
Molecular Formula	C21H27NOS
Molecular Weight	341.51
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H](NCCCCC1=CC=CC=C1)[C@@H](O)C2=CC=C3SCCC3=C2

InChI

InChIKey=FJLRGFADCXTJNV-HRAATJIYSA-N

InChI=1S/C21H27NOS/c1-16(22-13-6-5-9-17-7-3-2-4-8-17)21(23)19-10-11-20-18(15-19)12-14-24-20/h2-4,7-8,10-11,15-16,21-23H,5-6,9,12-14H2,1H3/t16-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H27NOS
Molecular Weight	341.51
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 17:51:42 GMT 2025` Edited by `admin` on `Mon Mar 31 17:51:42 GMT 2025`
Record UNII	PA4ZRD1PA6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CP-804S/T

Code

English

BENZO(B)THIOPHENE-5-METHANOL, 2,3-DIHYDRO-.ALPHA.-((1R)-1-((4-PHENYLBUTYL)AMINO)ETHYL)-, (.ALPHA.R)-REL-

Preferred Name

English

(±)-THREO-2,3-DIHYDRO-.ALPHA.-(1-((4-PHENYLBUTYL)AMINO)ETHYL)BENZO(B)THIOPHENE-5-METHANOL

Systematic Name

English

REL-(.ALPHA.R)-2,3-DIHYDRO-.ALPHA.-((1R)-1-((4-PHENYLBUTYL)AMINO)ETHYL)BENZO(B)THIOPHENE-5-METHANOL

Common Name

English

Code System Code Type Description

FDA UNII

PA4ZRD1PA6

Created by admin on Mon Mar 31 17:51:42 GMT 2025 , Edited by admin on Mon Mar 31 17:51:42 GMT 2025

PRIMARY

PUBCHEM

10042964

Created by admin on Mon Mar 31 17:51:42 GMT 2025 , Edited by admin on Mon Mar 31 17:51:42 GMT 2025

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CAS

63997-70-6

Created by admin on Mon Mar 31 17:51:42 GMT 2025 , Edited by admin on Mon Mar 31 17:51:42 GMT 2025

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