TALOTREXIN AMMONIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H27N9O6.H3N
Molecular Weight	590.5905
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

N.NC1=NC(N)=C2N=C(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCCNC(=O)C4=C(C=CC=C4)C(O)=O)C(O)=O)C=NC2=N1

InChI

InChIKey=CURXCENNYPPKOS-FYZYNONXSA-N

InChI=1S/C27H27N9O6.H3N/c28-21-20-22(36-27(29)35-21)32-13-16(33-20)12-31-15-9-7-14(8-10-15)23(37)34-19(26(41)42)6-3-11-30-24(38)17-4-1-2-5-18(17)25(39)40;/h1-2,4-5,7-10,13,19,31H,3,6,11-12H2,(H,30,38)(H,34,37)(H,39,40)(H,41,42)(H4,28,29,32,35,36);1H3/t19-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C27H27N9O6
Molecular Weight	573.56
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	H3N
Molecular Weight	17.0305
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:00:05 UTC 2023` Edited by `admin` on `Fri Dec 15 16:00:05 UTC 2023`
Record UNII	686WJT9102
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TALOTREXIN AMMONIUM

Official Name

English

PT-523

Code

English

Talotrexin ammonium [WHO-DD]

Common Name

English

2-[[(4S)-4-Carboxy-4-[[4-[[(2,4-diaminopteridin-6-yl)methyl]amino]benzoyl]amino]butyl]carbamoyl]benzoic acid monoammonium salt

Common Name

English

BENZOIC ACID, 2-((((4S)-4-CARBOXY-4-((4-(((2,4-DIAMINO-6-PTERIDINYL)METHYL)AMINO)BENZOYL)AMINO)BUTYL)AMINO)CARBONYL), MONOAMMONIUM SALT

Common Name

English

PT523

Code

English

NSC-712783

Code

English

TALOTREXIN AMMONIUM [USAN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C2153