Desethylene Posaconazole N,N'-diformyl

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H40F2N8O6
Molecular Weight	730.7603
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Desethylene Posaconazole N,N'-diformyl

Structure Search

SMILES

CC[C@@H]([C@H](C)O)N1N=CN(C1=O)C2=CC=C(C=C2)N(CCN(C=O)C3=CC=C(OC[C@@H]4CO[C@](CN5C=NC=N5)(C4)C6=C(F)C=C(F)C=C6)C=C3)C=O

InChI

InChIKey=ULPWZDUBQUNXKP-XAKZXMRKSA-N

InChI=1S/C37H40F2N8O6/c1-3-35(26(2)50)47-36(51)46(23-42-47)31-7-5-29(6-8-31)43(24-48)14-15-44(25-49)30-9-11-32(12-10-30)52-18-27-17-37(53-19-27,20-45-22-40-21-41-45)33-13-4-28(38)16-34(33)39/h4-13,16,21-27,35,50H,3,14-15,17-20H2,1-2H3/t26-,27+,35-,37-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C37H40F2N8O6
Molecular Weight	730.7603
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 12:23:44 GMT 2025` Edited by `admin` on `Wed Apr 02 12:23:44 GMT 2025`
Record UNII	7943M3UB8P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

POSACONAZOLE IMPURITY B

Preferred Name

English

Desethylene Posaconazole N,N'-diformyl

Common Name

English

D-THREO-PENTITOL, 2,5-ANHYDRO-1,3,4-TRIDEOXY-2-C-(2,4-DIFLUOROPHENYL)-4-((4-((2-((4-(1-((1S,2S)-1-ETHYL-2-HYDROXYPROPYL)-1,5-DIHYDRO-5-OXO-4H-1,2,4-TRIAZOL-4-YL)PHENYL)FORMYLAMINO)ETHYL)FORMYLAMINO)PHENOXY)METHYL)-1-(1H-1,2,4-TRIAZOL-1-YL)-

Systematic Name

English

2,5-ANHYDRO-1,3,4-TRIDEOXY-2-C-(2,4-DIFLUOROPHENYL)-4-((4-((2-((4-(1-((1S,2S)-1-ETHYL-2-HYDROXYPROPYL)-1,5-DIHYDRO-5-OXO-4H-1,2,4-TRIAZOL-4-YL)PHENYL)FORMYLAMINO)ETHYL)FORMYLAMINO)PHENOXY)METHYL)-1-(1H-1,2,4-TRIAZOL-1-YL)-D-THREO-PENTITOL

Systematic Name

English

Code System Code Type Description

PUBCHEM

101117210

Created by admin on Wed Apr 02 12:23:44 GMT 2025 , Edited by admin on Wed Apr 02 12:23:44 GMT 2025

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CAS

357189-95-8

Created by admin on Wed Apr 02 12:23:44 GMT 2025 , Edited by admin on Wed Apr 02 12:23:44 GMT 2025

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FDA UNII

7943M3UB8P

Created by admin on Wed Apr 02 12:23:44 GMT 2025 , Edited by admin on Wed Apr 02 12:23:44 GMT 2025

PRIMARY