Surzetoclax

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C53H63ClN8O10S
Molecular Weight	1039.633
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CO[C@@H]1CC[C@@H](CNC2=CC=C(C=C2[N+]([O-])=O)S(=O)(=O)NC(=O)C3=CC=C(C=C3N4CCCOC5=C4C=C6C=CNC6=N5)N7CCN8CC9=C(CC(C)(C)C[C@H]9OCCCOC[C@@H]8C7)C%10=CC=C(Cl)C=C%10)OC1

InChI

InChIKey=AWGQQZVAXXLVMT-ORYVFAGJSA-N

InChI=1S/C53H63ClN8O10S/c1-53(2)27-43(34-6-8-36(54)9-7-34)44-31-60-20-19-59(30-38(60)32-69-21-5-23-70-49(44)28-53)37-10-14-42(46(25-37)61-18-4-22-71-52-48(61)24-35-16-17-55-50(35)57-52)51(63)58-73(66,67)41-13-15-45(47(26-41)62(64)65)56-29-39-11-12-40(68-3)33-72-39/h6-10,13-17,24-26,38-40,49,56H,4-5,11-12,18-23,27-33H2,1-3H3,(H,55,57)(H,58,63)/t38-,39-,40+,49+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C53H63ClN8O10S
Molecular Weight	1039.633
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 11:00:19 GMT 2025` Edited by `admin` on `Wed Apr 02 11:00:19 GMT 2025`
Record UNII	C3TU3CHH6L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Surzetoclax

Official Name

English

D-erythro-Hexitol, 1,5-anhydro-6-[[4-[[[4-[(4aS,10aR)-14-(4-chlorophenyl)-1,2,4a,5,8,9,10a,11,13,15-decahydro-12,12-dimethyl-7H,12H-pyrazino[2,1-g][1,5,8]benzodioxaazacycloundecin-3(4H)-yl]-2-(3,4-dihydro-2H-pyrrolo[3?,2?:5,6]pyrido[2,3-b][1,4]oxazepin-1

Preferred Name

English

surzetoclax [INN]

Common Name

English

SURZETOCLAX [USAN]

Common Name

English

1,5-Anhydro-6-[[4-[[[4-[(4aS,10aR)-14-(4-chlorophenyl)-1,2,4a,5,8,9,10a,11,13,15-decahydro-12,12-dimethyl-7H,12H-pyrazino[2,1-g][1,5,8]benzodioxaazacycloundecin-3(4H)-yl]-2-(3,4-dihydro-2H-pyrrolo[3?,2?:5,6]pyrido[2,3-b][1,4]oxazepin-1(7H)-yl)benzoyl]ami

Systematic Name

English

4-[(4aS,10aR)-14-(4-chlorophenyl)-12,12-dimethyl-1,2,4a,5,8,9,10a,11,13,15-decahydro-7H,12Hpyrazino[ 2,1-g][1,5,8]benzodioxaazacycloundecin-3(4H)-yl]-2-(3,4-dihydro-2Hpyrrolo[ 3',2':5,6]pyrido[2,3-b][1,4]oxazepin-1(7H)-yl)-N-[4-({[(2S,5R)-5-methoxyoxan-2

Systematic Name

English

Code System Code Type Description

CAS

2858632-01-4