IOPOFOSINE I-131

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H53INO4P
Molecular Weight	641.6153
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[N+](C)(C)CCOP([O-])(=O)OCCCCCCCCCCCCCCCCCCC1=CC=C([131I])C=C1

InChI

InChIKey=ZOAIEFWMQLYMTF-YRKXUXMHSA-N

InChI=1S/C29H53INO4P/c1-31(2,3)25-27-35-36(32,33)34-26-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-28-21-23-29(30)24-22-28/h21-24H,4-20,25-27H2,1-3H3/i30+4

HIDE SMILES / InChI

Molecular Formula	C29H53INO4P
Molecular Weight	641.6153
Charge	0
Count

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

Description
Sources: https://www.cancer.gov/publications/dictionaries/cancer-drug/def/iodine-i-131-nm404 | https://www.cellectar.com/product-pipeline/clr-131

NM404 I-131 (also known as CLR 131) is a phospholipid ether analog labeled with iodine I-131, used as radiotherapeutic and positron emission tomography (PET) radioimaging agent. Upon infusion, the drug accumulates in tumor cells and is retained for a long time because of the decreased activity of a phospholipase D. The drug is being developed by Cellectar Biosciences and is investigated in clinical trials against multiple myeloma and hematologic malignancies. In 2014, the FDA granted orphan drug designation for CLR 131 for the treatment of multiple myeloma.

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 00:10:54 UTC 2023` Edited by `admin` on `Sat Dec 16 00:10:54 UTC 2023`
Record UNII	R048696O9L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

IOPOFOSINE I-131

Official Name

English

18-(P-(131I)-IODOPHENYL)OCTADECYL PHOSPHOCHOLINE

Systematic Name

English

2-((HYDROXY((18-(4-(131I)IODOPHENYL)OCTADECYL)OXY)PHOSPHINYL)OXY)-N,N,NTRIMETHYLETHANAMINIUM INNER SALT

Systematic Name

English

131I-CLR1404

Code

English

CLR-131

Code

English

CLR-1404 I-131

Code

English

18-(P-(131I )-IODOPHENYL)OCTADECYL PHOSPHOCHOLINE

Systematic Name

English

IOPOFOSINE (131I)

Official Name

English

NM-404 I-131

Code

English

I-131-CLR1404

Code

English

iopofosine (¹³¹I) [INN]

Common Name

English

IOPOFOSINE I 131 [USAN]

Common Name

English

CLR131

Code

English

131I-NM-404

Code

English

ETHANAMINIUM, 2-((HYDROXY((18-(4-(IODO-131I)PHENYL)OCTADECYL)OXY)PHOSPHINYL)OXY)-N,N,N-TRIMETHYL-, INNER SALT

Systematic Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

455614