SQ-12181

Details

Stereochemistry	RACEMIC
Molecular Formula	C17H27NO4
Molecular Weight	309.4006
Optical Activity	( + / - )
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)(C)NC[C@@H](O)COC1=CC=CC2=C1C[C@H](O)[C@H](O)C2

InChI

InChIKey=VWPOSFSPZNDTMJ-YUELXQCFSA-N

InChI=1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/t12-,14-,15+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C17H27NO4
Molecular Weight	309.4006
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:28:49 GMT 2023` Edited by `admin` on `Fri Dec 15 15:28:49 GMT 2023`
Record UNII	FT49SXL904
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SQ-12181

Common Name

English

2,3-NAPHTHALENEDIOL, 5-(((2S)-3-((1,1-DIMETHYLETHYL)AMINO)-2-HYDROXYPROPYL)OXY)-1,2,3,4-TETRAHYDRO-, (2S,3R)-REL

Common Name

English

2,3-NAPHTHALENEDIOL, 5-(3-((1,1-DIMETHYLETHYL)AMINO)-2-HYDROXYPROPOXY)-1,2,3,4-TETRAHYDRO-, (2.ALPHA.,3.ALPHA.,5(R*))-(±)-

Common Name

English

2,3-NAPHTHALENEDIOL, 5-(3-((1,1-DIMETHYLETHYL)AMINO)-2-HYDROXYPROPOXY)-1,2,3,4-TETRAHYDRO-, (2.ALPHA.,3.ALPHA.,5(R*))-

Common Name

English

SQ 12181

Code

English

2,3-NAPHTHALENEDIOL, 5-((2R)-3-((1,1-DIMETHYLETHYL)AMINO)-2-HYDROXYPROPOXY)-1,2,3,4-TETRAHYDRO-, (2R,3S)-REL-

Common Name

English

Code System Code Type Description

FDA UNII

FT49SXL904

Created by admin on Fri Dec 15 15:28:49 GMT 2023 , Edited by admin on Fri Dec 15 15:28:49 GMT 2023

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PUBCHEM

7048578

Created by admin on Fri Dec 15 15:28:49 GMT 2023 , Edited by admin on Fri Dec 15 15:28:49 GMT 2023

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CAS

80844-55-9

Created by admin on Fri Dec 15 15:28:49 GMT 2023 , Edited by admin on Fri Dec 15 15:28:49 GMT 2023

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