L-653328

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H27NO4
Molecular Weight	309.4006
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(=O)OCCC1=CC=C(OC[C@@H](O)CNC(C)(C)C)C=C1

InChI

InChIKey=YSAYHFMJDLPBGB-HNNXBMFYSA-N

InChI=1S/C17H27NO4/c1-13(19)21-10-9-14-5-7-16(8-6-14)22-12-15(20)11-18-17(2,3)4/h5-8,15,18,20H,9-12H2,1-4H3/t15-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C17H27NO4
Molecular Weight	309.4006
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 `Sat Dec 16 08:46:52 GMT 2023` Edited by `admin` on `Sat Dec 16 08:46:52 GMT 2023`
Record UNII	5TET8Z0SGK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

L-653328

Code

English

BENZENEETHANOL, 4-(3-((1,1-DIMETHYLETHYL)AMINO)-2-HYDROXYPROPOXY)-, ALPHA-ACETATE, (S)-

Systematic Name

English

L-653,328

Code

English

2-(4-((2S)-3-((1,1-DIMETHYLETHYL)AMINO)-2-HYDROXYPROPOXY)PHENYL)ETHYL ACETATE

Systematic Name

English

BENZENEETHANOL, 4-((2S)-3-((1,1-DIMETHYLETHYL)AMINO)-2-HYDROXYPROPOXY)-, 1-ACETATE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID30921774

Created by admin on Sat Dec 16 08:46:52 GMT 2023 , Edited by admin on Sat Dec 16 08:46:52 GMT 2023

PRIMARY

FDA UNII

5TET8Z0SGK

Created by admin on Sat Dec 16 08:46:52 GMT 2023 , Edited by admin on Sat Dec 16 08:46:52 GMT 2023

PRIMARY

PUBCHEM

163971

Created by admin on Sat Dec 16 08:46:52 GMT 2023 , Edited by admin on Sat Dec 16 08:46:52 GMT 2023

PRIMARY

CAS

115609-61-5

Created by admin on Sat Dec 16 08:46:52 GMT 2023 , Edited by admin on Sat Dec 16 08:46:52 GMT 2023

PRIMARY

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					EU9WJI0AUI

L-653328 MALEATE

SALT/SOLVATE -> PARENT

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					5TET8Z0SGK

L-653328

ACTIVE MOIETY