773U82

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H21NO2
Molecular Weight	319.3969
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 773U82

Structure Search

SMILES

CC(CO)(CO)NCC1=CC=C2C3=C(C=CC=C3)C4=C2C1=CC=C4

InChI

InChIKey=YTHQUBIKIOUZBQ-UHFFFAOYSA-N

InChI=1S/C21H21NO2/c1-21(12-23,13-24)22-11-14-9-10-19-17-6-3-2-5-16(17)18-8-4-7-15(14)20(18)19/h2-10,22-24H,11-13H2,1H3

HIDE SMILES / InChI

Molecular Formula	C21H21NO2
Molecular Weight	319.3969
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 13:56:27 GMT 2023` Edited by `admin` on `Sat Dec 16 13:56:27 GMT 2023`
Record UNII	CR91BPI5TT
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

773U82

Code

English

BW-A-773U FREE BASE

Code

English

1,3-PROPANEDIOL, 2-((3-FLUORANTHENYLMETHYL)AMINO)-2-METHYL-

Systematic Name

English

Code System Code Type Description

NCI_THESAURUS

C184792

Created by admin on Sat Dec 16 13:56:27 GMT 2023 , Edited by admin on Sat Dec 16 13:56:27 GMT 2023

PRIMARY

FDA UNII

CR91BPI5TT

Created by admin on Sat Dec 16 13:56:27 GMT 2023 , Edited by admin on Sat Dec 16 13:56:27 GMT 2023

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PUBCHEM

125949

Created by admin on Sat Dec 16 13:56:27 GMT 2023 , Edited by admin on Sat Dec 16 13:56:27 GMT 2023

PRIMARY

EPA CompTox

DTXSID40242240

Created by admin on Sat Dec 16 13:56:27 GMT 2023 , Edited by admin on Sat Dec 16 13:56:27 GMT 2023

PRIMARY

CAS

96404-52-3

Created by admin on Sat Dec 16 13:56:27 GMT 2023 , Edited by admin on Sat Dec 16 13:56:27 GMT 2023

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Related Record Type Details


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773U82 HYDROCHLORIDE

SALT/SOLVATE -> PARENT