PF-04287881 FUMARATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C43H63N5O11.3C4H4O4
Molecular Weight	2000.1909
Optical Activity	UNSPECIFIED
Defined Stereocenters	26 / 26
E/Z Centers	3
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)\C=C\C(O)=O.OC(=O)\C=C\C(O)=O.OC(=O)\C=C\C(O)=O.CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]3N(C4CN(CC5=C6N=CC=CC6=NC=C5O)C4)C(=O)O[C@]13C)OC.CC[C@H]7OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]8O[C@H](C)C[C@@H]([C@H]8O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]9N(C%10CN(CC%11=C%12N=CC=CC%12=NC=C%11O)C%10)C(=O)O[C@]79C)OC

InChI

InChIKey=PXNGKQBXUZLGJP-AEGJDSRHSA-N

InChI=1S/2C43H63N5O11.3C4H4O4/c2*1-12-32-43(8)37(48(41(54)59-43)27-19-47(20-27)21-28-31(49)18-45-29-14-13-15-44-33(28)29)24(4)34(50)22(2)17-42(7,55-11)38(25(5)35(51)26(6)39(53)57-32)58-40-36(52)30(46(9)10)16-23(3)56-40;3*5-3(6)1-2-4(7)8/h2*13-15,18,22-27,30,32,36-38,40,49,52H,12,16-17,19-21H2,1-11H3;3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+/t2*22-,23-,24+,25+,26-,30+,32-,36-,37-,38-,40+,42-,43-;;;/m11.../s1

HIDE SMILES / InChI

Molecular Formula	C43H63N5O11
Molecular Weight	825.9872
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	13 / 13
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C4H4O4
Molecular Weight	116.0722
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:39:07 GMT 2023` Edited by `admin` on `Fri Dec 15 19:39:07 GMT 2023`
Record UNII	29975NFM6Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PF-04287881 FUMARATE

Common Name

English

2H-OXACYCLOTETRADECINO(4,3-D)OXAZOLE-2,6,8,14(1H,7H,9H)-TETRONE, 4-ETHYLOCTAHYDRO-1-(1-((3-HYDROXY-1,5-NAPHTHYRIDIN-4-YL)METHYL)-3-AZETIDINYL)-11-METHOXY-3A,7,9,11,13,15-HEXAMETHYL-10-((3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-.BETA.-D-XYLO-HEXOPYRANOSYL)OXY)-,

Systematic Name

English

Code System Code Type Description

PUBCHEM

156614136

Created by admin on Fri Dec 15 19:39:07 GMT 2023 , Edited by admin on Fri Dec 15 19:39:07 GMT 2023

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FDA UNII

29975NFM6Q

Created by admin on Fri Dec 15 19:39:07 GMT 2023 , Edited by admin on Fri Dec 15 19:39:07 GMT 2023

PRIMARY

CAS

1056876-94-8

Created by admin on Fri Dec 15 19:39:07 GMT 2023 , Edited by admin on Fri Dec 15 19:39:07 GMT 2023

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