NC-758

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H44N2O2.2BrH
Molecular Weight	602.485
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Br.Br.CCN(CC)CC(C)(C)C(=O)\C=C\C1=CC=C(C=C1)\C=C\C(=O)C(C)(C)CN(CC)CC

InChI

InChIKey=SFNAZJOEZQFYCY-HLVWOLMTSA-N

InChI=1S/C28H44N2O2.2BrH/c1-9-29(10-2)21-27(5,6)25(31)19-17-23-13-15-24(16-14-23)18-20-26(32)28(7,8)22-30(11-3)12-4;;/h13-20H,9-12,21-22H2,1-8H3;2*1H/b19-17+,20-18+;;

HIDE SMILES / InChI

Molecular Formula	BrH
Molecular Weight	80.912
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C28H44N2O2
Molecular Weight	440.6612
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	2
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:39:50 UTC 2023` Edited by `admin` on `Fri Dec 15 19:39:50 UTC 2023`
Record UNII	9K0C44112H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NC-758

Common Name

English

1-PENTEN-3-ONE, 5-(DIETHYLAMINO)-1-(4-(5-(DIETHYLAMINO)-4,4-DIMETHYL-3-OXO-1-PENTEN-1-YL)PHENYL)-4,4-DIMETHYL-, HYDROBROMIDE (1:2)

Systematic Name

English

1-PENTEN-3-ONE, 1,1'-(1,4-PHENYLENE)BIS(5-(DIETHYLAMINO)-4,4-DIMETHYL-, DIHYDROBROMIDE

Systematic Name

English

1-PENTEN-3-ONE, 1,1'-(1,4-PHENYLENE)BIS(5-(DIETHYLAMINO)-4,4-DIMETHYL-, DIHYDROBROMIDE, (1E,1'E)-

Systematic Name

English

Code System Code Type Description

FDA UNII

9K0C44112H