L-643717

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H29N3O4S.2ClH
Molecular Weight	552.513
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.Cl.COC1=CC=C(CCNC[C@H](O)COC2=CC=C(C=C2)C3=NC(=CN3)C4=CC=CS4)C=C1OC

InChI

InChIKey=FUNPLUUFCGTLEV-FJSYBICCSA-N

InChI=1S/C26H29N3O4S.2ClH/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);2*1H/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

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 17:49:17 GMT 2025` Edited by `admin` on `Mon Mar 31 17:49:17 GMT 2025`
Record UNII	TXX3AK0HXY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

L-643717

Code

English

(S)-1-((2-(3,4-DIMETHOXYPHENYL)ETHYL)AMINO)-3-(4-(4-(2-THIENYL)-1H-IMIDAZOL-2-YL)PHENOXY)-2-PROPANOL DIHYDROCHLORIDE

Preferred Name

English

2-PROPANOL, 1-((2-(3,4-DIMETHOXYPHENYL)ETHYL)AMINO)-3-(4-(4-(2-THIENYL)-1H-IMIDAZOL-2-YL)PHENOXY)-, DIHYDROCHLORIDE, (2S)-

Systematic Name

English

Code System Code Type Description

FDA UNII

TXX3AK0HXY

Created by admin on Mon Mar 31 17:49:17 GMT 2025 , Edited by admin on Mon Mar 31 17:49:17 GMT 2025

PRIMARY

EPA CompTox

DTXSID601006227

Created by admin on Mon Mar 31 17:49:17 GMT 2025 , Edited by admin on Mon Mar 31 17:49:17 GMT 2025

PRIMARY

CAS

85648-09-5

Created by admin on Mon Mar 31 17:49:17 GMT 2025 , Edited by admin on Mon Mar 31 17:49:17 GMT 2025

PRIMARY

PUBCHEM

13157385

Created by admin on Mon Mar 31 17:49:17 GMT 2025 , Edited by admin on Mon Mar 31 17:49:17 GMT 2025

PRIMARY

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