Vepdegestrant

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C45H49N5O4
Molecular Weight	723.9017
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC1=CC=C2[C@H]([C@H](CCC2=C1)C3=CC=CC=C3)C4=CC=C(C=C4)N5CCC(CN6CCN(CC6)C7=CC8=C(C=C7)C(=O)N(C8)[C@H]9CCC(=O)NC9=O)CC5

InChI

InChIKey=TZZDVPMABRWKIZ-XMOGEVODSA-N

InChI=1S/C45H49N5O4/c51-37-12-15-39-33(27-37)8-13-38(31-4-2-1-3-5-31)43(39)32-6-9-35(10-7-32)48-20-18-30(19-21-48)28-47-22-24-49(25-23-47)36-11-14-40-34(26-36)29-50(45(40)54)41-16-17-42(52)46-44(41)53/h1-7,9-12,14-15,26-27,30,38,41,43,51H,8,13,16-25,28-29H2,(H,46,52,53)/t38-,41+,43+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C45H49N5O4
Molecular Weight	723.9017
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:50:12 GMT 2023` Edited by `admin` on `Sat Dec 16 14:50:12 GMT 2023`
Record UNII	WC1U3R1YMI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Vepdegestrant

Official Name

English

vepdegestrant [INN]

Common Name

English

2,6-Piperidinedione, 3-[1,3-dihydro-1-oxo-5-[4-[[1-[4-[(1R,2S)-1,2,3,4-tetrahydro-6-hydroxy-2-phenyl-1-naphthalenyl]phenyl]-4-piperidinyl]methyl]-

Systematic Name

English

PF-07850327

Code

English

(2¹R,2²S,8³S)-2⁶-hydroxy-2¹,2²,2³,2⁴-tetrahydro-7(5,2)-isoindola-6(1,4)-piperazina-4(1,4),8(3)-dipiperidina-2(2,1)-naphthalena-1(1),3(1,4)-dibenzenaoctaphane-7¹,8²,8⁶(7³H)-trione

Systematic Name

English

ARV-471 (PROTAC)

Code

English

VEPDEGESTRANT [USAN]

Common Name

English

ARV471

Code

English

ARV-471

Code

English

Code System Code Type Description

NCI_THESAURUS

C165420