(2S)-Hydroxy(phenyl)acetic acid (2R)-N-benzyl-1-(4-methoxyphenyl)propan-2-amine

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H21NO.C8H8O3
Molecular Weight	407.5021
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2S)-Hydroxy(phenyl)acetic acid (2R)-N-benzyl-1-(4-methoxyphenyl)propan-2-amine

Structure Search

SMILES

O[C@H](C(O)=O)C1=CC=CC=C1.COC2=CC=C(C[C@@H](C)NCC3=CC=CC=C3)C=C2

InChI

InChIKey=PDWPSGIFFIAUNQ-HQGDCIDMSA-N

InChI=1S/C17H21NO.C8H8O3/c1-14(18-13-16-6-4-3-5-7-16)12-15-8-10-17(19-2)11-9-15;9-7(8(10)11)6-4-2-1-3-5-6/h3-11,14,18H,12-13H2,1-2H3;1-5,7,9H,(H,10,11)/t14-;7-/m10/s1

HIDE SMILES / InChI

Molecular Formula	C8H8O3
Molecular Weight	152.1473
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	( + )

Molecular Formula	C17H21NO
Molecular Weight	255.3547
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	( - )

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:39:53 GMT 2023` Edited by `admin` on `Fri Dec 15 15:39:53 GMT 2023`
Record UNII	9ZN9PQ5TVC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(2S)-Hydroxy(phenyl)acetic acid (2R)-N-benzyl-1-(4-methoxyphenyl)propan-2-amine

Systematic Name

English

(R)-N-Benzyl-1-(4-methoxyphenyl)propan-2-amine (S)-2-hydroxy-2-phenylacetate

Systematic Name

English

Benzeneethanamine, 4-methoxy-α-methyl-N-(phenylmethyl)-, (αR)-, (αS)-α-hydroxybenzeneacetate

Systematic Name

English

Benzeneethanamine, 4-methoxy-α-methyl-N-(phenylmethyl)-, (R)-, (S)-α-hydroxybenzeneacetate

Systematic Name

English

Benzeneacetic acid, α-hydroxy-, (αS)-, compd. with (αR)-4-methoxy-α-methyl-N-(phenylmethyl)benzeneethanamine (1:1)

Common Name

English

Benzeneacetic acid, α-hydroxy-, (S)-, compd. with (R)-4-methoxy-α-methyl-N-(phenylmethyl)benzeneethanamine (1:1)

Common Name

English

Code System Code Type Description

FDA UNII

9ZN9PQ5TVC

Created by admin on Fri Dec 15 15:39:53 GMT 2023 , Edited by admin on Fri Dec 15 15:39:53 GMT 2023

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PUBCHEM

11338752

Created by admin on Fri Dec 15 15:39:53 GMT 2023 , Edited by admin on Fri Dec 15 15:39:53 GMT 2023

PRIMARY

CAS

188690-84-8

Created by admin on Fri Dec 15 15:39:53 GMT 2023 , Edited by admin on Fri Dec 15 15:39:53 GMT 2023

PRIMARY

EPA CompTox

DTXSID70704866

Created by admin on Fri Dec 15 15:39:53 GMT 2023 , Edited by admin on Fri Dec 15 15:39:53 GMT 2023

PRIMARY

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