ARFOLITIXORIN MONOSULFATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H23N7O6.H2O4S
Molecular Weight	555.518
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OS(O)(=O)=O.[H][C@@]12CN(CN1C3=C(NC2)NC(N)=NC3=O)C4=CC=C(C=C4)C(=O)N[C@@H](CCC(O)=O)C(O)=O

InChI

InChIKey=GKJSPWCDMPVQHB-KZCZEQIWSA-N

InChI=1S/C20H23N7O6.H2O4S/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29;1-5(2,3)4/h1-4,12-13H,5-9H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31);(H2,1,2,3,4)/t12-,13+;/m1./s1

HIDE SMILES / InChI

Molecular Formula	H2O4S
Molecular Weight	98.078
Charge	0
Count

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

Molecular Formula	C20H23N7O6
Molecular Weight	457.4399
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:20:35 UTC 2023` Edited by `admin` on `Sat Dec 16 14:20:35 UTC 2023`
Record UNII	PO4XPF4TIX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ARFOLITIXORIN MONOSULFATE

Common Name

English

L-GLUTAMIC ACID, N-(4-((6AR)-3-AMINO-1,2,5,6,6A,7-HEXAHYDRO-1-OXOIMIDAZO(1,5-F)PTERIDIN-8(9H)-YL)BENZOYL)-, SULFATE (1:1)

Systematic Name

English

L-GLUTAMIC ACID, N-(4-(3-AMINO-1,2,5,6,6A,7-HEXAHYDRO-1-OXOIMIDAZO(1,5-F)PTERIDIN-8(9H)-YL)BENZOYL)-, (R)-, SULFATE (1:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

137331911

Created by admin on Sat Dec 16 14:20:35 UTC 2023 , Edited by admin on Sat Dec 16 14:20:35 UTC 2023

PRIMARY

FDA UNII

PO4XPF4TIX

Created by admin on Sat Dec 16 14:20:35 UTC 2023 , Edited by admin on Sat Dec 16 14:20:35 UTC 2023

PRIMARY

CAS

149930-93-8

Created by admin on Sat Dec 16 14:20:35 UTC 2023 , Edited by admin on Sat Dec 16 14:20:35 UTC 2023

PRIMARY

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