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Bromochloromethotrexate

Bromochloromethotrexate structure

CAS No:
6914-12-1
Formula:
C20H20BrClN8O5
Chemical Name:
Bromochloromethotrexate
Synonyms:
L-Glutamic acid,N-(3-bromo-4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl); Glutamic acid,N-[3-bromo-4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-,L; Monobromomethotrexate; N-{3-Brom-5-chlor-4-[(2,4-diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoyl}-L-glutaminsaeure; 3'-Bromomethotrexate; N-{3-Brom-4-[(2,4-diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoyl}-L-glutaminsaeure; N-{3-bromo-4-[(2,4-diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoyl}-L-glutamic acid; N-{3-bromo-5-chloro-4-[(2,4-diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoyl}-L-glutamic acid;Expand
Categories:
Dyes and Pigments > Pigment

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Bromochloromethotrexate Basic Attributes

Molecular Weight：

567.78000

Exact Mass：

566.04286 g/mol

UNII：

89MS4IXM22

Characteristics

PSA：

210.54000

XLogP3：

3.23760

Density：

1.753g/cm3

Refractive Index：

1.747

Drug Information

MeSH Entry Terms：

NSC 98579

Computed Properties

Molecular Weight:567.8
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:9
Exact Mass:566.04286
Monoisotopic Mass:566.04286
Topological Polar Surface Area:211
Heavy Atom Count:35
Complexity:784
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes