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Details

Stereochemistry ABSOLUTE
Molecular Formula C69H97N17O14S2.Cu.4H
Molecular Weight 1520.706
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ucasareotide dasaroxetan CU-64

SMILES

[H+].[H+].[H+].[H+].[64Cu++].C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)CCCC(=O)NC34C[N-]CC[N-]CC(C)(C[N-]CC[N-]C3)C[N-]CC[N-]C4)C(=O)N[C@@H](CC5=CC=C(O)C=C5)C(=O)N[C@H](CC6=CNC7=C6C=CC=C7)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(O)=O

InChI

InChIKey=WOSIZJGUVWZCKW-DCAKPWEASA-R
InChI=1S/C69H97N17O14S2.Cu/c1-42(87)58-66(98)83-55(65(97)85-59(43(2)88)67(99)100)35-102-101-34-54(64(96)80-52(31-45-19-21-47(89)22-20-45)62(94)81-53(32-46-33-77-49-15-8-7-14-48(46)49)63(95)79-50(60(92)84-58)16-9-10-23-70)82-61(93)51(30-44-12-5-4-6-13-44)78-56(90)17-11-18-57(91)86-69-39-74-27-24-71-36-68(3,37-72-25-28-75-40-69)38-73-26-29-76-41-69;/h4-8,12-15,19-22,33,42-43,50-55,58-59,77,87-89H,9-11,16-18,23-32,34-41,70H2,1-3H3,(H,78,90)(H,79,95)(H,80,96)(H,81,94)(H,82,93)(H,83,98)(H,84,92)(H,85,97)(H,86,91)(H,99,100);/q-6;+2/p+4/t42?,43?,50-,51+,52-,53+,54-,55-,58-,59-,68?,69?;/m0./s1/i;1+0

HIDE SMILES / InChI

Molecular Formula C69H97N17O14S2
Molecular Weight 1452.744
Charge -6
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 8 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula Cu
Molecular Weight 63.9298
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula H
Molecular Weight 1.0079
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 Sat Dec 16 15:01:40 UTC 2023
Edited
by admin
on Sat Dec 16 15:01:40 UTC 2023
Record UNII
UJY48W6ADC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ucasareotide dasaroxetan CU-64
Common Name English
SARTATE CU-64
Common Name English
64CU SARTATE
Common Name English
CU-64 SARTATE
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 737720
Created by admin on Sat Dec 16 15:01:40 UTC 2023 , Edited by admin on Sat Dec 16 15:01:40 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C174469
Created by admin on Sat Dec 16 15:01:40 UTC 2023 , Edited by admin on Sat Dec 16 15:01:40 UTC 2023
PRIMARY
FDA UNII
UJY48W6ADC
Created by admin on Sat Dec 16 15:01:40 UTC 2023 , Edited by admin on Sat Dec 16 15:01:40 UTC 2023
PRIMARY
PUBCHEM
139593522
Created by admin on Sat Dec 16 15:01:40 UTC 2023 , Edited by admin on Sat Dec 16 15:01:40 UTC 2023
PRIMARY
Related Record Type Details
NON-LABELED -> LABELED
TARGET->RADIOLIGAND
Related Record Type Details
ACTIVE MOIETY