MOTEXAFIN GADOLINIUM

Details

Stereochemistry	ACHIRAL
Molecular Formula	C48H66N5O10.2C2H3O2.Gd.H2O
Molecular Weight	1166.42
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.[Gd+3].CC([O-])=O.CC([O-])=O.CCC1=C2[N-]C(C=C3N=C(\C=N\C4=CC(OCCOCCOCCOC)=C(OCCOCCOCCOC)C=C4\N=C\C5=NC(=C2)C(CCCO)=C5C)C(C)=C3CCCO)=C1CC

InChI

InChIKey=KHDBHVDCUGRVLA-IOYKFIIZSA-L

InChI=1S/C48H66N5O10.2C2H4O2.Gd.H2O/c1-7-35-36(8-2)40-28-42-38(12-10-14-55)34(4)46(53-42)32-50-44-30-48(63-26-24-61-22-20-59-18-16-57-6)47(62-25-23-60-21-19-58-17-15-56-5)29-43(44)49-31-45-33(3)37(11-9-13-54)41(52-45)27-39(35)51-40;2*1-2(3)4;;/h27-32,54-55H,7-26H2,1-6H3;2*1H3,(H,3,4);;1H2/q-1;;;+3;/p-2/b39-27-,40-28-,41-27-,42-28-,45-31-,46-32-,49-31+,49-43+,50-32+,50-44+;;;;

HIDE SMILES / InChI

Molecular Formula	Gd
Molecular Weight	157.25
Charge	3
Count

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

Molecular Formula	C2H3O2
Molecular Weight	59.044
Charge	-1
Count

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

Molecular Formula	C48H67N5O10
Molecular Weight	874.0731
Charge	0
Count

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

Molecular Formula	HO
Molecular Weight	17.0073
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 `Fri Dec 15 16:03:01 UTC 2023` Edited by `admin` on `Fri Dec 15 16:03:01 UTC 2023`
Record UNII	6433A42F4F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MOTEXAFIN GADOLINIUM

Official Name

English

GD-TEX

Code

English

GADOLINIUM TEXAPHYRIN

Code

English

MOTEXAFIN GADOLINIUM HYDRATE

Common Name

English

Motexafin gadolinium [WHO-DD]

Common Name

English

GD TEXAPHYRIN

Code

English

FP-GP1

Code

English

MOTEXAFIN GADOLINIUM [USAN]

Common Name

English

BIS(ACETATO-O)(9,10-DIETHYL-20,21-BIS(2-(2-(2-METHOXYETHOXY)ETHOXY)ETHOXY)-4,15-DIMETHYL-8,11-IMINO-3,6:16,13-DINITRILO-1,18-BENZODIAZACYCLOEICOSINE-5,14-DIPROPANOLATO-N1, N18, N23, N24, N25) GADOLINIUM HYDRATE

Systematic Name

English

NSC-695238

Code

English

GD-TEXAPHYRIN

Code

English

API-GP3

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C798