CLR-1502 CATION

Details

Stereochemistry	ACHIRAL
Molecular Formula	C61H89N3O4P
Molecular Weight	959.3508
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	3
Charge	1

SHOW SMILES / InChI

Structure Search

SMILES

CN1\C(=C\C=C2/CCCC(\C=C\C3=[N+](C)C4=C(C=CC=C4)C3(C)C)=C2C5=CC=C(CCCCCCCCCCCCCCCCCCOP([O-])(=O)OCC[N+](C)(C)C)C=C5)C(C)(C)C6=C1C=CC=C6

InChI

InChIKey=JBJHWWUHBHRXNN-UHFFFAOYSA-N

InChI=1S/C61H89N3O4P/c1-60(2)53-34-25-27-36-55(53)62(5)57(60)44-42-50-32-30-33-51(43-45-58-61(3,4)54-35-26-28-37-56(54)63(58)6)59(50)52-40-38-49(39-41-52)31-24-22-20-18-16-14-12-10-11-13-15-17-19-21-23-29-47-67-69(65,66)68-48-46-64(7,8)9/h25-28,34-45H,10-24,29-33,46-48H2,1-9H3/q+1

HIDE SMILES / InChI

Molecular Formula	C61H89N3O4P
Molecular Weight	959.3508
Charge	1
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	3
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:45:01 GMT 2023` Edited by `admin` on `Sat Dec 16 08:45:01 GMT 2023`
Record UNII	43FZ0HY89H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CLR-1502 CATION

Common Name

English

3H-INDOLIUM, 2-(2-(3-(2-(1,3-DIHYDRO-1,3,3-TRIMETHYL-2H-INDOL-2-YLIDENE)ETHYLIDENE)-2-(4-(20-HYDROXY-24,24-DIMETHYL-20-OXIDO-19,21-DIOXA-24-AZONIA-20-PHOSPHAPENTACOS-1-YL)PHENYL)-1-CYCLOHEXEN-1-YL)ETHENYL)-1,3,3-TRIMETHYL-, MONO(INNER SALT)

Systematic Name

English

Code System Code Type Description

PUBCHEM

59513071

Created by admin on Sat Dec 16 08:45:01 GMT 2023 , Edited by admin on Sat Dec 16 08:45:01 GMT 2023

PRIMARY

CAS

1250254-86-4

Created by admin on Sat Dec 16 08:45:01 GMT 2023 , Edited by admin on Sat Dec 16 08:45:01 GMT 2023

PRIMARY

FDA UNII

43FZ0HY89H

Created by admin on Sat Dec 16 08:45:01 GMT 2023 , Edited by admin on Sat Dec 16 08:45:01 GMT 2023

PRIMARY

Related Record Type Details


					28F0748H5U

CLR-1502

SALT/SOLVATE -> PARENT

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					43FZ0HY89H

CLR-1502 CATION

ACTIVE MOIETY