SR-59230A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H27NO2.C2H2O4
Molecular Weight	415.4795
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)C(O)=O.CCC1=C(OC[C@@H](O)CN[C@H]2CCCC3=CC=CC=C23)C=CC=C1

InChI

InChIKey=XTBQNQMNFXNGLR-MKSBGGEFSA-N

InChI=1S/C21H27NO2.C2H2O4/c1-2-16-8-4-6-13-21(16)24-15-18(23)14-22-20-12-7-10-17-9-3-5-11-19(17)20;3-1(4)2(5)6/h3-6,8-9,11,13,18,20,22-23H,2,7,10,12,14-15H2,1H3;(H,3,4)(H,5,6)/t18-,20-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C21H27NO2
Molecular Weight	325.4446
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C2H2O4
Molecular Weight	90.0349
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 `Sat Dec 16 10:14:52 UTC 2023` Edited by `admin` on `Sat Dec 16 10:14:52 UTC 2023`
Record UNII	Z4G2GB3YHU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SR-59230A

Common Name

English

(2S)-1-(2-ETHYLPHENOXY)-3-(((1S)-1,2,3,4-TETRAHYDRO-1-NAPHTHALENYL)AMINO)2-PROPANOL ETHANEDIOATE (1:1)

Systematic Name

English

2-PROPANOL, 1-(2-ETHYLPHENOXY)-3-((1,2,3,4-TETRAHYDRO-1-NAPHTHALENYL)AMINO)-, (S-(R*,R*))-, ETHANEDIOATE (1:1) (SALT)

Systematic Name

English

2-PROPANOL, 1-(2-ETHYLPHENOXY)-3-(((1S)-1,2,3,4-TETRAHYDRO-1-NAPHTHALENYL)AMINO)-, (2S)-, ETHANEDIOATE (1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

Z4G2GB3YHU