Flotufolastat F-18 Gallium

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C63H96FN12O25Si.Ga
Molecular Weight	1537.311
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Ga+3].CC(C)(C)[Si]([18F])(C1=CC=C(C=C1)C(=O)NC[C@@H](NC(=O)CC[C@H](N2CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC2)C(O)=O)C(=O)N[C@H](CCCCNC(=O)CCC(=O)NCCC[C@@H](NC(=O)CC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(C)(C)C

InChI

InChIKey=OJPQWJNFDOFXTN-WRFPGERRSA-K

InChI=1S/C63H99FN12O25Si.Ga/c1-62(2,3)102(64,63(4,5)6)39-14-12-38(13-15-39)54(89)67-34-44(69-49(80)20-18-45(60(99)100)76-32-30-74(36-52(85)86)28-26-73(35-51(83)84)27-29-75(31-33-76)37-53(87)88)55(90)70-41(57(93)94)10-7-8-24-65-46(77)21-22-47(78)66-25-9-11-40(56(91)92)68-48(79)19-16-42(58(95)96)71-61(101)72-43(59(97)98)17-23-50(81)82;/h12-15,40-45H,7-11,16-37H2,1-6H3,(H,65,77)(H,66,78)(H,67,89)(H,68,79)(H,69,80)(H,70,90)(H,81,82)(H,83,84)(H,85,86)(H,87,88)(H,91,92)(H,93,94)(H,95,96)(H,97,98)(H,99,100)(H2,71,72,101);/q;+3/p-3/t40-,41-,42+,43+,44-,45+;/m1./s1/i64-1;

HIDE SMILES / InChI

Molecular Formula	C63H96FN12O25Si
Molecular Weight	1467.5882
Charge	-3
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	Ga
Molecular Weight	69.723
Charge	3
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 15:07:20 GMT 2023` Edited by `admin` on `Sat Dec 16 15:07:20 GMT 2023`
Record UNII	XD423NK2WO
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Flotufolastat F-18 Gallium

Official Name

English

Gallate(6-), [(4S,8S,13R,27R,30R,35S)-35-[4,10-bis[(carboxy-κO)methyl]-7-(carboxymethyl)-1,4,7,10-tetraazacyclododec-1-yl-κN1,κN4,κN7,κN10]-30-[[[4-[bis(1,1-dimethylethyl)fluoro-18F-silyl]benzoyl]amino]methyl]-1,36-dihydroxy-1,6,11,18,21,29,32,36-oc

Systematic Name

English

FLUORINE-18 RHPSMA

Common Name

English

FLOTUFOLASTAT F 18 GALLIUM [USAN]

Common Name

English

POSLUMA

Brand Name

English

rhPSMA-7.3

Code

English

Code System Code Type Description

USAN

KL-32