BKM-1740

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C39H46Cl2F5N3O9P2
Molecular Weight	928.643
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCOP(=O)(OCC)C(NC1CCN(CC1)C(=O)[C@H](CC2=CC=C(OCC3=C(Cl)C=CC=C3Cl)C=C2)NC(=O)\C=C\C4=C(F)C(F)=C(F)C(F)=C4F)P(=O)(OCC)OCC

InChI

InChIKey=NAHKVDWLVOYPDU-XCXBIEIDSA-N

InChI=1S/C39H46Cl2F5N3O9P2/c1-5-55-59(52,56-6-2)39(60(53,57-7-3)58-8-4)47-25-18-20-49(21-19-25)38(51)31(48-32(50)17-16-27-33(42)35(44)37(46)36(45)34(27)43)22-24-12-14-26(15-13-24)54-23-28-29(40)10-9-11-30(28)41/h9-17,25,31,39,47H,5-8,18-23H2,1-4H3,(H,48,50)/b17-16+/t31-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C39H46Cl2F5N3O9P2
Molecular Weight	928.643
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 07:59:42 GMT 2023` Edited by `admin` on `Sat Dec 16 07:59:42 GMT 2023`
Record UNII	3495JSP28V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BKM-1740

Common Name

English

PHOSPHONIC ACID, P,P'-(((1-((2S)-3-(4-((2,6-DICHLOROPHENYL)METHOXY)PHENYL)-1-OXO-2-((1-OXO-3-(2,3,4,5,6-PENTAFLUOROPHENYL)-2-PROPEN-1-YL)AMINO)PROPYL)-4-PIPERIDINYL)AMINO)METHYLENE)BIS-, P,P,P',P'-TETRAETHYL ESTER

Systematic Name

English

Code System Code Type Description

FDA UNII

3495JSP28V

Created by admin on Sat Dec 16 07:59:42 GMT 2023 , Edited by admin on Sat Dec 16 07:59:42 GMT 2023

PRIMARY

PUBCHEM

25058065

Created by admin on Sat Dec 16 07:59:42 GMT 2023 , Edited by admin on Sat Dec 16 07:59:42 GMT 2023

PRIMARY

CAS

1070966-97-0

Created by admin on Sat Dec 16 07:59:42 GMT 2023 , Edited by admin on Sat Dec 16 07:59:42 GMT 2023

PRIMARY

Related Record Type Details


					3495JSP28V

BKM-1740

ACTIVE MOIETY