NODAGA-THERANOST GA-68

Details

Stereochemistry	MIXED
Molecular Formula	C39H59N10O15S.Ga
Molecular Weight	1009.732
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Ga+3].CC(C)(CNC(=O)CCC(N1CCN(CC([O-])=O)CCN(CC([O-])=O)CC1)C([O-])=O)COC(=O)NCCS(=O)(=O)NC(CNC(=O)C2=CC=C(OCCNC3=NCCCN3)C=C2)C(O)=O

InChI

InChIKey=MKAVMUIOMIFVBJ-UHFFFAOYSA-K

InChI=1S/C39H62N10O15S.Ga/c1-39(2,25-45-31(50)9-8-30(36(58)59)49-18-16-47(23-32(51)52)14-15-48(17-19-49)24-33(53)54)26-64-38(60)43-13-21-65(61,62)46-29(35(56)57)22-44-34(55)27-4-6-28(7-5-27)63-20-12-42-37-40-10-3-11-41-37;/h4-7,29-30,46H,3,8-26H2,1-2H3,(H,43,60)(H,44,55)(H,45,50)(H,51,52)(H,53,54)(H,56,57)(H,58,59)(H2,40,41,42);/q;+3/p-3

HIDE SMILES / InChI

Molecular Formula	C39H59N10O15S
Molecular Weight	940.009
Charge	-3
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	Ga
Molecular Weight	69.723
Charge	3
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 05:12:02 GMT 2023` Edited by `admin` on `Sat Dec 16 05:12:02 GMT 2023`
Record UNII	5EKN6H63OA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NODAGA-THERANOST GA-68

Common Name

English

NODAGA-THERANOST GALLIUM GA-68

Common Name

English

(68GA)NODAGA-THERANOST

Common Name

English

THERANOST 68GA RGD

Brand Name

English

THERANOST 68 GA RGD

Common Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

454814