SABUTOCLAX

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C42H40N2O8
Molecular Weight	700.7756
Optical Activity	UNSPECIFIED
Additional Stereochemistry	Yes
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0
Stereo Comments	AXIAL, R

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H](CNC(=O)C1=C(O)C(O)=CC2=C(O)C(=C(C)C=C12)C3=C(O)C4=C(C=C3C)C(C(=O)NC[C@H](C)C5=CC=CC=C5)=C(O)C(O)=C4)C6=CC=CC=C6

InChI

InChIKey=RAYNZUHYMMLQQA-ZEQRLZLVSA-N

InChI=1S/C42H40N2O8/c1-21-15-27-29(17-31(45)39(49)35(27)41(51)43-19-23(3)25-11-7-5-8-12-25)37(47)33(21)34-22(2)16-28-30(38(34)48)18-32(46)40(50)36(28)42(52)44-20-24(4)26-13-9-6-10-14-26/h5-18,23-24,45-50H,19-20H2,1-4H3,(H,43,51)(H,44,52)/t23-,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C42H40N2O8
Molecular Weight	700.7756
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 05:00:52 UTC 2023` Edited by `admin` on `Sat Dec 16 05:00:52 UTC 2023`
Record UNII	39Y89ZRK34
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

SABUTOCLAX

Common Name

English

BI-97C1

Code

English

(2,2'-BINAPHTHALENE)-5,5'-DICARBOXAMIDE, 1,1',6,6',7,7'-HEXAHYDROXY-3,3'-DIMETHYL-N5,N5'-BIS((2R)-2-PHENYLPROPYL)-, (1R)-

Common Name

English

Code System Code Type Description

CAS

1228108-65-3

Created by admin on Sat Dec 16 05:00:52 UTC 2023 , Edited by admin on Sat Dec 16 05:00:52 UTC 2023

PRIMARY

EPA CompTox

DTXSID20153724

Created by admin on Sat Dec 16 05:00:52 UTC 2023 , Edited by admin on Sat Dec 16 05:00:52 UTC 2023

PRIMARY

PUBCHEM

46236925

Created by admin on Sat Dec 16 05:00:52 UTC 2023 , Edited by admin on Sat Dec 16 05:00:52 UTC 2023

PRIMARY

FDA UNII

39Y89ZRK34

Created by admin on Sat Dec 16 05:00:52 UTC 2023 , Edited by admin on Sat Dec 16 05:00:52 UTC 2023

PRIMARY

Related Record Type Details


					8RQM3E2NEV

APOPTOSIS REGULATOR BCL-2

TARGET -> INHIBITOR

Interaction Type:

BINDING

Related Record Type Details


					39Y89ZRK34

SABUTOCLAX

ACTIVE MOIETY