Flotufolastat F-18

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C63H99FN12O25Si
Molecular Weight	1470.612
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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=QMGJNAVROCDAIW-MQNQVPOESA-N

InChI=1S/C63H99FN12O25Si/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)/t40-,41-,42+,43+,44-,45+/m1/s1/i64-1

HIDE SMILES / InChI

Molecular Formula	C63H99FN12O25Si
Molecular Weight	1470.612
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:26:39 UTC 2023` Edited by `admin` on `Sat Dec 16 16:26:39 UTC 2023`
Record UNII	811W19E3OL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Flotufolastat F-18

Official Name

English

D-LYSINE, 3-((4-(BIS(1,1-DIMETHYLETHYL)FLUORO((18F)SILYL)BENZOYL)AMINO)-N-((4S)-4-CARBOXY-1-OXO-4-(4,7,10-TRIS(CARBOXYMETHYL)-1,4,7,10-TETRAAZACYCLODODEC-1-YL)BUTYL)-D-ALANYL-N6-(3-CARBOXY-1-OXOPROPYL)-, (26->2')-AMIDE WITH N-((((1S)-1,3-DICARBOXYPROPYL)

Systematic Name

English

N2 -(N-{(4S)-4-carboxy-4-[4,7,10-tris(carboxymethyl)- 1,4,7,10-tetraaza-cyclododecan-1-yl]butanoyl}-3-[4-(ditert-butyl(18F)fluorosilyl)benzamido]-D-alanyl)-N6-[4-(N2-{N-[(L-glutamic acid-N-yl)carbonyl]- L-γ-glutamyl}-Dornithin-N5-yl)-4-oxobutanoyl]-D-ly

Systematic Name

English

rhPSMA-7.3C

Code

English

FLOTUFOLASTAT F 18 [USAN]

Common Name

English

FLOTUFOLASTAT (18F)

Official Name

English

Code System Code Type Description

PUBCHEM

154572844