Plerixafor Hexatrifluoroacetamide

Details

Stereochemistry	ACHIRAL
Molecular Formula	C40H48F18N8O6
Molecular Weight	1078.8304
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Plerixafor Hexatrifluoroacetamide

Structure Search

SMILES

FC(F)(F)C(=O)N1CCCN(CCN(CCCN(CC2=CC=C(CN3CCCN(CCN(CCCN(CC3)C(=O)C(F)(F)F)C(=O)C(F)(F)F)C(=O)C(F)(F)F)C=C2)CC1)C(=O)C(F)(F)F)C(=O)C(F)(F)F

InChI

InChIKey=ZLIVMLGSJBPBRC-UHFFFAOYSA-N

InChI=1S/C40H48F18N8O6/c41-35(42,43)29(67)61-13-3-15-65(33(71)39(53,54)55)23-21-63(31(69)37(47,48)49)11-1-9-59(17-19-61)25-27-5-7-28(8-6-27)26-60-10-2-12-64(32(70)38(50,51)52)22-24-66(34(72)40(56,57)58)16-4-14-62(20-18-60)30(68)36(44,45)46/h5-8H,1-4,9-26H2

HIDE SMILES / InChI

Approval Year

Name

Type

Language

Plerixafor Hexatrifluoroacetamide

Common Name

English

Plerixafor Hexa(trifluoroacetate)

Preferred Name

English

1,1?,1??,1???,1????,1?????-[1,4-Phenylenebis(methylene-1,4,8,11-tetraazacyclotetradecane-1,4,8,11-tetrayl)]hexakis[2,2,2-trifluoroethanone]

Systematic Name

English

Ethanone, 1,1?,1??,1???,1????,1?????-[1,4-phenylenebis(methylene-1,4,8,11-tetraazacyclotetradecane-1,4,8,11-tetrayl)]hexakis[2,2,2-trifluoro-

Systematic Name

English

1-(4,8-bis-(2,2,2-trifluoroacetyl)-11-{4-[4,8,11-tris-(2,2,2-trifluoroacetyl)-1,4,8,11-tetraazacyclotetradec-1-ylMethyl]-benzyl}-1,4,8,11-tetraazacyclotetradec-1-yl)-2,2,2-trifluoroethanone

Systematic Name

English

1,4,8,11-Tetraazacyclotetradecane, 1,1?-[1,4-phenylenebis(methylene)]bis[4,8,11-tris(trifluoroacetyl)-

Systematic Name

English

Code System Code Type Description

CAS

406939-93-3

Created by admin on Wed Apr 02 17:21:30 GMT 2025 , Edited by admin on Wed Apr 02 17:21:30 GMT 2025

PRIMARY

PUBCHEM

11309252

Created by admin on Wed Apr 02 17:21:30 GMT 2025 , Edited by admin on Wed Apr 02 17:21:30 GMT 2025

PRIMARY

FDA UNII

WQ5F9W426N

Created by admin on Wed Apr 02 17:21:30 GMT 2025 , Edited by admin on Wed Apr 02 17:21:30 GMT 2025

PRIMARY

SUBSTANCE RECORD


					WQ5F9W426N

Plerixafor Hexatrifluoroacetamide