AA-497

Details

Stereochemistry	RACEMIC
Molecular Formula	C14H21NO3.ClH
Molecular Weight	287.782
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.CC(C)N[C@H]1CCC2=C(CO)C(O)=CC=C2[C@@H]1O

InChI

InChIKey=GUXIVSFTPDBQRU-KYSPHBLOSA-N

InChI=1S/C14H21NO3.ClH/c1-8(2)15-12-5-3-9-10(14(12)18)4-6-13(17)11(9)7-16;/h4,6,8,12,14-18H,3,5,7H2,1-2H3;1H/t12-,14-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C14H21NO3
Molecular Weight	251.3214
Charge	0
Count

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

Molecular Formula	ClH
Molecular Weight	36.461
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 11:33:21 GMT 2023` Edited by `admin` on `Sat Dec 16 11:33:21 GMT 2023`
Record UNII	0J8PCC254F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AA-497

Common Name

English

1,6-NAPHTHALENEDIOL, 1,2,3,4-TETRAHYDRO-5-(HYDROXYMETHYL)-2-((1-METHYLETHYL)AMINO)-, HYDROCHLORIDE, (1R,2R)-REL-

Systematic Name

English

1,6-NAPHTHALENEDIOL, 1,2,3,4-TETRAHYDRO-5-(HYDROXYMETHYL)-2-((1-METHYLETHYL)AMINO)-, HYDROCHLORIDE, TRANS-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID50984341

Created by admin on Sat Dec 16 11:33:22 GMT 2023 , Edited by admin on Sat Dec 16 11:33:22 GMT 2023

PRIMARY

CAS

65860-38-0

Created by admin on Sat Dec 16 11:33:22 GMT 2023 , Edited by admin on Sat Dec 16 11:33:22 GMT 2023

PRIMARY

PUBCHEM

18632294

Created by admin on Sat Dec 16 11:33:22 GMT 2023 , Edited by admin on Sat Dec 16 11:33:22 GMT 2023

PRIMARY

FDA UNII

0J8PCC254F

Created by admin on Sat Dec 16 11:33:22 GMT 2023 , Edited by admin on Sat Dec 16 11:33:22 GMT 2023

PRIMARY

Related Record Type Details


					I72SGB1D8W

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