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Details

Stereochemistry ABSOLUTE
Molecular Formula C49H55FN8O16
Molecular Weight 1030.0059
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PSMA-1007 F-18

SMILES

OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)[C@H](CC1=CC2=C(C=CC=C2)C=C1)NC(=O)C3=CC=C(CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)C4=CN=C([18F])C=C4)C=C3)C(O)=O)C(O)=O

InChI

InChIKey=RFFFFGRYVZESLB-CXODGJKXSA-N
InChI=1S/C49H55FN8O16/c50-38-18-14-32(26-52-38)43(66)54-34(16-20-40(61)62)46(69)55-33(15-19-39(59)60)44(67)53-25-27-8-12-30(13-9-27)42(65)56-37(24-28-10-11-29-5-1-2-6-31(29)23-28)45(68)51-22-4-3-7-35(47(70)71)57-49(74)58-36(48(72)73)17-21-41(63)64/h1-2,5-6,8-14,18,23,26,33-37H,3-4,7,15-17,19-22,24-25H2,(H,51,68)(H,53,67)(H,54,66)(H,55,69)(H,56,65)(H,59,60)(H,61,62)(H,63,64)(H,70,71)(H,72,73)(H2,57,58,74)/t33-,34-,35-,36-,37-/m0/s1/i50-1

HIDE SMILES / InChI

Molecular Formula C49H55FN8O16
Molecular Weight 1030.0059
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:23:04 UTC 2023
Edited
by admin
on Sat Dec 16 14:23:04 UTC 2023
Record UNII
F1CB00L2RH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PSMA-1007 F-18
Code English
Fluorine (18F) PSMA 1007 [WHO-DD]
Common Name English
FLUORINE-18-PSMA-1007
Code English
FLUORINE(18F) PSMA-1007
Common Name English
18 F-PSMA-1007
Code English
(18F)-PSMA-1007
Code English
Code System Code Type Description
CAS
2093321-19-6
Created by admin on Sat Dec 16 14:23:04 UTC 2023 , Edited by admin on Sat Dec 16 14:23:04 UTC 2023
PRIMARY
SMS_ID
300000018720
Created by admin on Sat Dec 16 14:23:04 UTC 2023 , Edited by admin on Sat Dec 16 14:23:04 UTC 2023
PRIMARY
NCI_THESAURUS
C167348
Created by admin on Sat Dec 16 14:23:04 UTC 2023 , Edited by admin on Sat Dec 16 14:23:04 UTC 2023
PRIMARY
PUBCHEM
145996605
Created by admin on Sat Dec 16 14:23:04 UTC 2023 , Edited by admin on Sat Dec 16 14:23:04 UTC 2023
PRIMARY
FDA UNII
F1CB00L2RH
Created by admin on Sat Dec 16 14:23:04 UTC 2023 , Edited by admin on Sat Dec 16 14:23:04 UTC 2023
PRIMARY
Related Record Type Details
TARGET->RADIOLIGAND