AZD-4619 TERT-BUTYLAMMONIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H28O7S2.C4H11N
Molecular Weight	589.763
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of AZD-4619 TERT-BUTYLAMMONIUM

Structure Search

SMILES

CC(C)(C)N.CS(=O)(=O)OC1=CC=C(OCCC2=CC=C(C[C@H](SCCC3=CC=C(O)C=C3)C(O)=O)C=C2)C=C1

InChI

InChIKey=SEJUAWZLBOYASH-UQIIZPHYSA-N

InChI=1S/C26H28O7S2.C4H11N/c1-35(30,31)33-24-12-10-23(11-13-24)32-16-14-19-2-4-21(5-3-19)18-25(26(28)29)34-17-15-20-6-8-22(27)9-7-20;1-4(2,3)5/h2-13,25,27H,14-18H2,1H3,(H,28,29);5H2,1-3H3/t25-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C4H11N
Molecular Weight	73.1368
Charge	0
Count

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

Molecular Formula	C26H28O7S2
Molecular Weight	516.626
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:34:29 GMT 2023` Edited by `admin` on `Fri Dec 15 17:34:29 GMT 2023`
Record UNII	QBU8Y6E91V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AZD-4619 TERT-BUTYLAMMONIUM

Common Name

English

BENZENEPROPANOIC ACID, .ALPHA.-((2-(4-HYDROXYPHENYL)ETHYL)THIO)-4-(2-(4-((METHYLSULFONYL)OXY)PHENOXY)ETHYL)-, (-)-, COMPD. WITH 2-METHYL-2-PROPANAMINE (1:1)

Common Name

English

BENZENEPROPANOIC ACID, .ALPHA.-((2-(4-HYDROXYPHENYL)ETHYL)THIO)-4-(2-(4-((METHYLSULFONYL)OXY)PHENOXY)ETHYL)-, COMPD. WITH 2-METHYL-2-PROPANAMINE (1:1), (.ALPHA.S)-

Common Name

English

2-METHYLPROPAN-2-AMINE (S)-2-((4-HYDROXYPHENETHYL)THIO)-3-(4-(2-(4-((METHYLSULFONYL)OXY)PHENOXY)ETHYL)PHENYL)PROPANOATE

Systematic Name

English

Code System Code Type Description

PUBCHEM

71587847

Created by admin on Fri Dec 15 17:34:29 GMT 2023 , Edited by admin on Fri Dec 15 17:34:29 GMT 2023

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FDA UNII

QBU8Y6E91V

Created by admin on Fri Dec 15 17:34:29 GMT 2023 , Edited by admin on Fri Dec 15 17:34:29 GMT 2023

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CAS

891182-81-3

Created by admin on Fri Dec 15 17:34:29 GMT 2023 , Edited by admin on Fri Dec 15 17:34:29 GMT 2023

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EPA CompTox

DTXSID90237540

Created by admin on Fri Dec 15 17:34:29 GMT 2023 , Edited by admin on Fri Dec 15 17:34:29 GMT 2023

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