SQ-31765

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H27F3N2O4.ClH
Molecular Weight	500.938
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.COC1=CC=C(C=C1)[C@@H]2CC3=C(C=CC=C3C(F)(F)F)N(CCN(C)C)C(=O)[C@@H]2OC(C)=O

InChI

InChIKey=QWCVDRQLROWYIY-VNJAQMQMSA-N

InChI=1S/C24H27F3N2O4.ClH/c1-15(30)33-22-18(16-8-10-17(32-4)11-9-16)14-19-20(24(25,26)27)6-5-7-21(19)29(23(22)31)13-12-28(2)3;/h5-11,18,22H,12-14H2,1-4H3;1H/t18-,22+;/m0./s1

HIDE SMILES / InChI

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

Molecular Formula	C24H27F3N2O4
Molecular Weight	464.4774
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 `Fri Dec 15 15:40:33 GMT 2023` Edited by `admin` on `Fri Dec 15 15:40:33 GMT 2023`
Record UNII	B43B1P643W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SQ-31765

Common Name

English

(3R-CIS)-3-ACETYLOXY-1-(2-(DIMETHYLAMINO)ETHYL)-1,3,4,5-TETRAHYDRO-4-(4-METHOXYPHENYL)-6-(TRIFLUOROMETHYL)-2H-1-BENZAZEPIN-2-ONE HYDROCHLORIDE

Systematic Name

English

Code System Code Type Description

PUBCHEM

130533

Created by admin on Fri Dec 15 15:40:33 GMT 2023 , Edited by admin on Fri Dec 15 15:40:33 GMT 2023

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EPA CompTox

DTXSID20925261

Created by admin on Fri Dec 15 15:40:33 GMT 2023 , Edited by admin on Fri Dec 15 15:40:33 GMT 2023

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FDA UNII

B43B1P643W

Created by admin on Fri Dec 15 15:40:33 GMT 2023 , Edited by admin on Fri Dec 15 15:40:33 GMT 2023

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CAS

125762-03-0

Created by admin on Fri Dec 15 15:40:33 GMT 2023 , Edited by admin on Fri Dec 15 15:40:33 GMT 2023

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