3-((9,10-DIHYDRO-9,10-DIOXO-4-((P-TOLYL)AMINO)-1-ANTHRYL)AMINO)PROPYLTRIMETHYLAMMONIUM DIHYDROGEN PHOSPHATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H30N3O2.H2O4P
Molecular Weight	525.5332
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-((9,10-DIHYDRO-9,10-DIOXO-4-((P-TOLYL)AMINO)-1-ANTHRYL)AMINO)PROPYLTRIMETHYLAMMONIUM DIHYDROGEN PHOSPHATE

Structure Search

SMILES

OP(O)([O-])=O.CC1=CC=C(NC2=C3C(=O)C4=C(C=CC=C4)C(=O)C3=C(NCCC[N+](C)(C)C)C=C2)C=C1

InChI

InChIKey=YIQKPKIXSAFTCP-UHFFFAOYSA-N

InChI=1S/C27H29N3O2.H3O4P/c1-18-10-12-19(13-11-18)29-23-15-14-22(28-16-7-17-30(2,3)4)24-25(23)27(32)21-9-6-5-8-20(21)26(24)31;1-5(2,3)4/h5-6,8-15H,7,16-17H2,1-4H3,(H-,28,29,31,32);(H3,1,2,3,4)

HIDE SMILES / InChI

Molecular Formula	C27H30N3O2
Molecular Weight	428.546
Charge	1
Count

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

Molecular Formula	H2O4P
Molecular Weight	96.9872
Charge	-1
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 12:46:27 GMT 2023` Edited by `admin` on `Sat Dec 16 12:46:27 GMT 2023`
Record UNII	8BB6T18TQL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-((9,10-DIHYDRO-9,10-DIOXO-4-((P-TOLYL)AMINO)-1-ANTHRYL)AMINO)PROPYLTRIMETHYLAMMONIUM DIHYDROGEN PHOSPHATE

Systematic Name

English

1-PROPANAMINIUM, 3-((9,10-DIHYDRO-4-((4-METHYLPHENYL)AMINO)-9,10-DIOXO-1-ANTHRACENYL)AMINO)-N,N,N-TRIMETHYL-, PHOSPHATE (1:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

44152433