TRIMETREXATE MONOACETATE MONOHYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C19H23N5O3.C2H4O2.H2O
Molecular Weight	447.4849
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TRIMETREXATE MONOACETATE MONOHYDRATE

Structure Search

SMILES

O.CC(O)=O.COC1=CC(NCC2=C(C)C3=C(N)N=C(N)N=C3C=C2)=CC(OC)=C1OC

InChI

InChIKey=NVDQULLLJIPDRP-UHFFFAOYSA-N

InChI=1S/C19H23N5O3.C2H4O2.H2O/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3;1-2(3)4;/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24);1H3,(H,3,4);1H2

HIDE SMILES / InChI

Molecular Formula	C2H4O2
Molecular Weight	60.052
Charge	0
Count

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

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

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

Molecular Formula	C19H23N5O3
Molecular Weight	369.4176
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 16:10:15 UTC 2023` Edited by `admin` on `Fri Dec 15 16:10:15 UTC 2023`
Record UNII	202B4JX1JJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TRIMETREXATE MONOACETATE MONOHYDRATE

Common Name

English

TRIMETREXATE MONOACETATE MONOHYDRATE [MI]

Common Name

English

2,4-QUINAZOLINEDIAMINE, 5-METHYL-6-(((3,4,5-TRIMETHOXYPHENYL)AMINO)METHYL)-, MONOACETATE, MONOHYDRATE

Systematic Name

English

TRIMETREXATE ACETATE MONOHYDRATE

Common Name

English

2,4-QUINAZOLINEDIAMINE, 5-METHYL-6-(((3,4,5-TRIMETHOXYPHENYL)AMINO)METHYL)-, ACETATE, HYDRATE (1:1:1)

Systematic Name

English

Code System Code Type Description

MERCK INDEX

m11163

Created by admin on Fri Dec 15 16:10:16 UTC 2023 , Edited by admin on Fri Dec 15 16:10:16 UTC 2023

PRIMARY

Merck Index

FDA UNII

202B4JX1JJ

Created by admin on Fri Dec 15 16:10:16 UTC 2023 , Edited by admin on Fri Dec 15 16:10:16 UTC 2023

PRIMARY

CAS

117381-09-6

Created by admin on Fri Dec 15 16:10:16 UTC 2023 , Edited by admin on Fri Dec 15 16:10:16 UTC 2023

PRIMARY

PUBCHEM

21186988

Created by admin on Fri Dec 15 16:10:16 UTC 2023 , Edited by admin on Fri Dec 15 16:10:16 UTC 2023

PRIMARY

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