NODAGA-THERANOST

Details

Stereochemistry	MIXED
Molecular Formula	C39H62N10O15S
Molecular Weight	943.033
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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=JFHDTNLQMPZLDY-UHFFFAOYSA-N

InChI=1S/C39H62N10O15S/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)

HIDE SMILES / InChI

Molecular Formula	C39H62N10O15S
Molecular Weight	943.033
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 13:33:41 UTC 2023` Edited by `admin` on `Sat Dec 16 13:33:41 UTC 2023`
Record UNII	N5SAC5LGU6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NODAGA-THERANOST

Common Name

English

NODA-THERANOST

Common Name

English

1H-1,4,7-TRIAZONINE-1,4,7-TRIACETIC ACID, .ALPHA.1-(15-CARBOXY-6,6-DIMETHYL-13,13-DIOXIDO-3,9,18-TRIOXO-18-(4-(2-((1,4,5,6-TETRAHYDRO-2-PYRIMIDINYL)AMINO)ETHOXY)PHENYL)-8-OXA-13-THIA-4,10,14,17-TETRAAZAOCTADEC-1-YL)HEXAHYDRO-

Systematic Name

English

Code System Code Type Description

CAS

1393933-89-5

Created by admin on Sat Dec 16 13:33:41 UTC 2023 , Edited by admin on Sat Dec 16 13:33:41 UTC 2023

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FDA UNII

N5SAC5LGU6

Created by admin on Sat Dec 16 13:33:41 UTC 2023 , Edited by admin on Sat Dec 16 13:33:41 UTC 2023

PRIMARY

PUBCHEM

71480010

Created by admin on Sat Dec 16 13:33:41 UTC 2023 , Edited by admin on Sat Dec 16 13:33:41 UTC 2023

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