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Details

Stereochemistry ABSOLUTE
Molecular Formula C47H50FNO14
Molecular Weight 870.8991
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FLUOROPACLITAXEL F-18

SMILES

[H][C@@]12C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(C)=O)C4=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C5=CC=CC=C5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)C6=CC=C([18F])C=C6)C7=CC=CC=C7

InChI

InChIKey=ZWDPMBMJMPIWMJ-LDPXFCOMSA-N
InChI=1S/C47H50FNO14/c1-24-31(61-43(57)36(53)35(27-13-9-7-10-14-27)49-41(55)28-17-19-30(48)20-18-28)22-47(58)40(62-42(56)29-15-11-8-12-16-29)38-45(6,32(52)21-33-46(38,23-59-33)63-26(3)51)39(54)37(60-25(2)50)34(24)44(47,4)5/h7-20,31-33,35-38,40,52-53,58H,21-23H2,1-6H3,(H,49,55)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1/i48-1

HIDE SMILES / InChI

Molecular Formula C47H50FNO14
Molecular Weight 870.8991
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:07:29 UTC 2023
Edited
by admin
on Sat Dec 16 14:07:29 UTC 2023
Record UNII
CHP2LM7KK2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FLUOROPACLITAXEL F-18
Common Name English
BENZENEPROPANOIC ACID, .BETA.-((4-(FLUORO-18F)BENZOYL)AMINO)-.ALPHA.-HYDROXY-, (2AR,4S,4AS,6R,9S,11S,12S,12AR,12BS)-6,12B-BIS(ACETYLOXY)-12-(BENZOYLOXY)-2A,3,4,4A,5,6,9,10,11,12,12A,12B-DODECAHYDRO-4,11-DIHYDROXY-4A,8,13,13-TETRAMETHYL-5-OXO-7,11-METHANO
Systematic Name English
4-FLUOROPACLITAXEL F-18
Common Name English
4-(18F)FLUOROPACLITAXEL
Common Name English
Code System Code Type Description
PUBCHEM
5331135
Created by admin on Sat Dec 16 14:07:29 UTC 2023 , Edited by admin on Sat Dec 16 14:07:29 UTC 2023
PRIMARY
CAS
594848-00-7
Created by admin on Sat Dec 16 14:07:29 UTC 2023 , Edited by admin on Sat Dec 16 14:07:29 UTC 2023
PRIMARY
FDA UNII
CHP2LM7KK2
Created by admin on Sat Dec 16 14:07:29 UTC 2023 , Edited by admin on Sat Dec 16 14:07:29 UTC 2023
PRIMARY
Related Record Type Details
NON-LABELED -> LABELED
Related Record Type Details
ACTIVE MOIETY