POSACONAZOLE SUCCINYL ESTER

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C41H46F2N8O7
Molecular Weight	800.8501
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of POSACONAZOLE SUCCINYL ESTER

Structure Search

SMILES

CC[C@@H]([C@H](C)OC(=O)CCC(O)=O)N1N=CN(C1=O)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(OC[C@@H]5CO[C@](CN6C=NC=N6)(C5)C7=C(F)C=C(F)C=C7)C=C4

InChI

InChIKey=PNRABLJKLZSNNS-VBDJOCTDSA-N

InChI=1S/C41H46F2N8O7/c1-3-37(28(2)58-39(54)15-14-38(52)53)51-40(55)50(27-46-51)33-7-5-31(6-8-33)47-16-18-48(19-17-47)32-9-11-34(12-10-32)56-22-29-21-41(57-23-29,24-49-26-44-25-45-49)35-13-4-30(42)20-36(35)43/h4-13,20,25-29,37H,3,14-19,21-24H2,1-2H3,(H,52,53)/t28-,29+,37-,41-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C41H46F2N8O7
Molecular Weight	800.8501
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 `Sat Dec 16 18:29:59 UTC 2023` Edited by `admin` on `Sat Dec 16 18:29:59 UTC 2023`
Record UNII	J5YGK3NMB9
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

POSACONAZOLE SUCCINYL ESTER

Common Name

English

D-THREO-PENTITOL, 2,5-ANHYDRO-4-((4-(4-(4-(1-((1S,2S)-2-(3-CARBOXY-1-OXOPROPOXY)-1-ETHYLPROPYL)-1,5-DIHYDRO-5-OXO-4H-1,2,4-TRIAZOL-4-YL)PHENYL)-1-PIPERAZINYL)PHENOXY)METHYL)-1,3,4-TRIDEOXY-2-C-(2,4-DIFLUOROPHENYL)-1-(1H-1,2,4-TRIAZOL-1-YL)-

Systematic Name

English

2,5-ANHYDRO-4-((4-(4-(4-(1-((1S,2S)-2-(3-CARBOXY-1-OXOPROPOXY)-1-ETHYLPROPYL)-1,5-DIHYDRO-5-OXO-4H-1,2,4-TRIAZOL-4-YL)PHENYL)-1-PIPERAZINYL)PHENOXY)METHYL)-1,3,4-TRIDEOXY-2-C-(2,4-DIFLUOROPHENYL)-1-(1H-1,2,4-TRIAZOL-1-YL)-D-THREO-PENTITOL

Systematic Name

English

Code System Code Type Description

FDA UNII

J5YGK3NMB9

Created by admin on Sat Dec 16 18:29:59 UTC 2023 , Edited by admin on Sat Dec 16 18:29:59 UTC 2023

PRIMARY

PUBCHEM

162368367

Created by admin on Sat Dec 16 18:29:59 UTC 2023 , Edited by admin on Sat Dec 16 18:29:59 UTC 2023

PRIMARY

CAS

1488301-79-6

Created by admin on Sat Dec 16 18:29:59 UTC 2023 , Edited by admin on Sat Dec 16 18:29:59 UTC 2023

PRIMARY

Related Record Type Details


					6TK1G07BHZ

POSACONAZOLE

PARENT -> IMPURITY

Amount: