FOLITIXORIN CALCIUM, (6S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H21N7O6.Ca
Molecular Weight	495.502
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Ca++].[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=AKUPTUNGFOADRT-QNTKWALQSA-L

InChI=1S/C20H23N7O6.Ca/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;/h1-4,12-13H,5-9H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31);/q;+2/p-2/t12-,13-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	Ca
Molecular Weight	40.078
Charge	2
Count

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

Molecular Formula	C20H21N7O6
Molecular Weight	455.424
Charge	-2
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 `Fri Dec 15 20:34:45 GMT 2023` Edited by `admin` on `Fri Dec 15 20:34:45 GMT 2023`
Record UNII	U9T7Z0505C
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

FOLITIXORIN CALCIUM, (6S)-

Common Name

English

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

Common Name

English

Code System Code Type Description

FDA UNII

U9T7Z0505C

Created by admin on Fri Dec 15 20:34:45 GMT 2023 , Edited by admin on Fri Dec 15 20:34:45 GMT 2023

PRIMARY

EPA CompTox

DTXSID50231201

Created by admin on Fri Dec 15 20:34:45 GMT 2023 , Edited by admin on Fri Dec 15 20:34:45 GMT 2023

PRIMARY

CAS

815587-59-8

Created by admin on Fri Dec 15 20:34:45 GMT 2023 , Edited by admin on Fri Dec 15 20:34:45 GMT 2023

PRIMARY

PUBCHEM

135564584

Created by admin on Fri Dec 15 20:34:45 GMT 2023 , Edited by admin on Fri Dec 15 20:34:45 GMT 2023

PRIMARY