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Details

Stereochemistry MIXED
Molecular Formula C81H128N24O32.4Gd
Molecular Weight 2579.02
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 4
E/Z Centers 0
Charge 0
Stereo Comments SEE NOTE

SHOW SMILES / InChI
Structure of Gadoquatrane

SMILES

[Gd+3].[Gd+3].[Gd+3].[Gd+3].CC(N1CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC1)C(=O)NCC(=O)NCC(CNC(=O)CNC(=O)C(C)N2CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC2)(CNC(=O)CNC(=O)C(C)N3CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC3)CNC(=O)CNC(=O)C(C)N4CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC4

InChI

InChIKey=HGIZCBUSWUYZEQ-UHFFFAOYSA-B
InChI=1S/C81H140N24O32.4Gd/c1-57(102-29-21-94(45-69(118)119)13-5-90(41-65(110)111)6-14-95(22-30-102)46-70(120)121)77(134)82-37-61(106)86-53-81(54-87-62(107)38-83-78(135)58(2)103-31-23-96(47-71(122)123)15-7-91(42-66(112)113)8-16-97(24-32-103)48-72(124)125,55-88-63(108)39-84-79(136)59(3)104-33-25-98(49-73(126)127)17-9-92(43-67(114)115)10-18-99(26-34-104)50-74(128)129)56-89-64(109)40-85-80(137)60(4)105-35-27-100(51-75(130)131)19-11-93(44-68(116)117)12-20-101(28-36-105)52-76(132)133;;;;/h57-60H,5-56H2,1-4H3,(H,82,134)(H,83,135)(H,84,136)(H,85,137)(H,86,106)(H,87,107)(H,88,108)(H,89,109)(H,110,111)(H,112,113)(H,114,115)(H,116,117)(H,118,119)(H,120,121)(H,122,123)(H,124,125)(H,126,127)(H,128,129)(H,130,131)(H,132,133);;;;/q;4*+3/p-12

HIDE SMILES / InChI

Approval Year

Name Type Language
BAY-1747846
Preferred Name English
Gadoquatrane
INN   USAN  
Official Name English
gadoquatrane [INN]
Common Name English
GADOQUATRANE [USAN]
Common Name English
Gadolinium, [?<sub>4</sub>-[[10,10?-[[2,2-bis[[[2-[[1-(oxo-?O)-2-[4,7,10-tris[(carboxy-?O)methyl]-1,4,7,10-tetraazacyclododec-1-yl-?N<sup>1</sup>,?N<sup>4</sup>,?N<sup>7</sup>,?N<sup>10</sup>]propyl]amino]acetyl]amino]methyl]-1,3-propanediyl]bis[imino(2-
Systematic Name English
Tetragadolinium [4,10-bis(carboxylatomethyl)-7-{3,6,12,15- tetraoxo-16-[4,7,10-tris- (carboxylatomethyl)-1,4,7,10- tetraazacyclododecan-1-yl]-9,9-bis({[({2-[4,7,10-tris- (carboxylatomethyl)-1,4,7,10-tetraazacyclododecan-1- yl]propanoyl}amino)acetyl]-amin
Systematic Name English
Code System Code Type Description
USAN
LM-190
Created by admin on Wed Apr 02 13:35:16 GMT 2025 , Edited by admin on Wed Apr 02 13:35:16 GMT 2025
PRIMARY
SMS_ID
300000040749
Created by admin on Wed Apr 02 13:35:16 GMT 2025 , Edited by admin on Wed Apr 02 13:35:16 GMT 2025
PRIMARY
PUBCHEM
156596411
Created by admin on Wed Apr 02 13:35:16 GMT 2025 , Edited by admin on Wed Apr 02 13:35:16 GMT 2025
PRIMARY
NCI_THESAURUS
C184920
Created by admin on Wed Apr 02 13:35:16 GMT 2025 , Edited by admin on Wed Apr 02 13:35:16 GMT 2025
PRIMARY
CAS
2048221-65-2
Created by admin on Wed Apr 02 13:35:16 GMT 2025 , Edited by admin on Wed Apr 02 13:35:16 GMT 2025
PRIMARY
INN
11850
Created by admin on Wed Apr 02 13:35:16 GMT 2025 , Edited by admin on Wed Apr 02 13:35:16 GMT 2025
PRIMARY
FDA UNII
OZG7J613HK
Created by admin on Wed Apr 02 13:35:16 GMT 2025 , Edited by admin on Wed Apr 02 13:35:16 GMT 2025
PRIMARY