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Talotrexin

Molecular FormulaC₂₇H₂₇N₉O₆
Average mass573.560 Da
Monoisotopic mass573.208435 Da
ChemSpider ID115628

- 1 of 1 defined stereocentres

More details:

Names and Synonyms
Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

113857-87-7 [RN]

2-({(4S)-4-Carboxy-4-[(4-{[(2,4-diamino-6-pteridinyl)methyl]amino}benzoyl)amino]butyl}carbamoyl)benzoesäure [German] [ACD/IUPAC Name]

2-({(4S)-4-Carboxy-4-[(4-{[(2,4-diamino-6-pteridinyl)methyl]amino}benzoyl)amino]butyl}carbamoyl)benzoic acid [ACD/IUPAC Name]

A8E516A20K

Acide 2-({(4S)-4-carboxy-4-[(4-{[(2,4-diamino-6-ptéridinyl)méthyl]amino}benzoyl)amino]butyl}carbamoyl)benzoïque [French] [ACD/IUPAC Name]

Benzoic acid, 2-[[[(4S)-4-carboxy-4-[[4-[[(2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]amino]butyl]amino]carbonyl]- [ACD/Index Name]

Talotrexin [INN]

talotrexina [Spanish] [INN]

talotrexine [French] [INN]

talotrexinum [Latin] [INN]

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UNII-A8E516A20K

талотрексин [Russian] [INN]

تالوتريكسين [Arabic] [INN]

他洛曲新 [Chinese] [INN]

(S)-2-((4-carboxy-4-(4-(((2,4-diaminopteridin-6-yl)methyl)amino)benzamido)butyl)carbamoyl)benzoic acid

2-[[(4S)-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]-5-hydroxy-5-keto-pentyl]carbamoyl]benzoic acid

2-[[(4S)-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]-5-hydroxy-5-oxopentyl]carbamoyl]benzoic acid

2-[[(4S)-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]-5-hydroxy-5-oxo-pentyl]carbamoyl]benzoic acid

2-[[(4S)-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]phenyl]carbonylamino]-5-hydroxy-5-oxo-pentyl]carbamoyl]benzoic acid

2-[[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoy l]amino]butyl]carbamoyl]benzoic acid

2-[[[(4S)-4-[[[4-[(2,4-diamino-6-pteridinyl)methylamino]phenyl]-oxomethyl]amino]-5-hydroxy-5-oxopentyl]amino]-oxomethyl]benzoic acid

2-[[[(4S)-4-CARBOXY-4-[[4-[[(2,4-DIAMINO-6-PTERIDINYL)METHYL]AMINO]BENZOYL]AMINO]BUTYL]AMINO]CARBONYLBENZOIC ACID

Anantifol(NSC 623017)

Benzoic acid, 2-(((4-carboxy-4-((4-(((2-diamino-6-pteridinyl)methyl)amino)benzoyl)amino)butyl)amino)carbonyl)-, (S)-

COP

N-(4-Carboxy-4-{4-[(2,4-diamino-pteridin-6-ylmethyl)-amino]-benzoylamino}-butyl)-phthalamic acid

N(α)-(4-Amino-4-deoxypteroyl)-N(δ)-hemiphthaloyl-L-ornithine

PT 523

talotrexina

talotrexine

talotrexinum

UNII:A8E516A20K

талотрексин

تالوتريكسين

他洛曲新

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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

8622 [DBID]

PT 523 [Portuguese] [DBID]

PT523 [DBID]

Predicted - ACD/Labs
Predicted - ChemAxon

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:	1.5±0.1 g/cm³
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:	1.738
Molar Refractivity:	152.8±0.3 cm³
#H bond acceptors:	15
#H bond donors:	9
#Freely Rotating Bonds:	12
#Rule of 5 Violations:	3

ACD/LogP:	-0.08
ACD/LogD (pH 5.5):	-3.42
ACD/BCF (pH 5.5):	1.00
ACD/KOC (pH 5.5):	1.00
ACD/LogD (pH 7.4):	-4.35
ACD/BCF (pH 7.4):	1.00
ACD/KOC (pH 7.4):	1.00
Polar Surface Area:	248 Å²
Polarizability:	60.6±0.5 10^-24cm³
Surface Tension:	90.8±3.0 dyne/cm
Molar Volume:	379.8±3.0 cm³

Click to predict properties on the Chemicalize site

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Talotrexin

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