GADOFOSVESET TRISODIUM ANHYDROUS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C33H38N3O14P.Gd.3Na
Molecular Weight	957.86
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of GADOFOSVESET TRISODIUM ANHYDROUS

Structure Search

SMILES

[Na+].[Na+].[Na+].[Gd+3].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)C[C@H](COP([O-])(=O)OC1CCC(CC1)(C2=CC=CC=C2)C3=CC=CC=C3)N(CC([O-])=O)CC([O-])=O

InChI

InChIKey=XGOSYNSWSRUASG-SSMZTGFVSA-H

InChI=1S/C33H44N3O14P.Gd.3Na/c37-28(38)18-34(15-16-35(19-29(39)40)20-30(41)42)17-26(36(21-31(43)44)22-32(45)46)23-49-51(47,48)50-27-11-13-33(14-12-27,24-7-3-1-4-8-24)25-9-5-2-6-10-25;;;;/h1-10,26-27H,11-23H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48);;;;/q;+3;3*+1/p-6/t26-;;;;/m1..../s1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

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

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	C33H38N3O14P
Molecular Weight	731.6403
Charge	-6
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:02:48 UTC 2023` Edited by `admin` on `Fri Dec 15 16:02:48 UTC 2023`
Record UNII	9430ZR8ZAN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GADOFOSVESET TRISODIUM ANHYDROUS

Common Name

English

TRISODIUM (N-(2-(BIS(CARBOXYMETHYL)AMINO)ETHYL)-N-((R)-2-(BIS(CARBOXYMETHYL)AMINO)-3-HYDROXYPROPYL)GLYCINE 4,4-DIPHENYLCYCLOHEXYL HYDROGEN PHOSPHATO(6-)) GADOLINATE(3-)

Common Name

English

GADOFOSVESET TRISODIUM SALT

Common Name

English

GADOFOSVESET TRISODIUM SALT [MI]

Common Name

English

TRISODIUM (N-(2-(BIS(CARBOXYMETHYL)AMINO)ETHYL)-N-((R)-2-(BIS(CARBOXYMETHYL)AMINO)-3-HYDROXYPROPYL)GLYCINE 4,4-DIPHENYLCYCLOHEXYL HYDROGEN PHOSPHATO (6-))GADOLINATE(3-)

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C62358