 Home > Encyclopedia > Pyrimidine, 1,4,5,6-tetrahydro-1-methyl-2-[(1E)-2-(3-methyl-2-thienyl)ethenyl]-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

Pyrimidine, 1,4,5,6-tetrahydro-1-methyl-2-[(1E)-2-(3-methyl-2-thienyl)ethenyl]-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

Pyrimidine, 1,4,5,6-tetrahydro-1-methyl-2-[(1E)-2-(3-methyl-2-thienyl)ethenyl]-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) structure

CAS No:
69525-81-1
Formula:
C12H16N2S.C6H8O7
Chemical Name:
Pyrimidine, 1,4,5,6-tetrahydro-1-methyl-2-[(1E)-2-(3-methyl-2-thienyl)ethenyl]-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
Synonyms:
Pyrimidine,1,4,5,6-tetrahydro-1-methyl-2-[(1E)-2-(3-methyl-2-thienyl)ethenyl]-,2-hydroxy-1,2,3-propanetricarboxylate (1:1);Morantel citrate
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Pyrimidine, 1,4,5,6-tetrahydro-1-methyl-2-[(1E)-2-(3-methyl-2-thienyl)ethenyl]-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) Basic Attributes

Molecular Weight：

412.45700

Exact Mass：

412.13042228

EC Number：

274-028-9

UNII：

VC8Z4SS5QX

NSC Number：

758647

DSSTox ID：

DTXSID90219780

HScode：

2934999090

Characteristics

PSA：

175.97000

XLogP3：

0.92870

Boiling Point：

552.2ºC at 760 mmHg

Flash Point：

287.8ºC

Storage Conditions：

0-6ºC

Collision Cross Section：

150.1 Å² [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

Safety Information

Marks：

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:412.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:412.13042228
Monoisotopic Mass:412.13042228
Topological Polar Surface Area:176
Heavy Atom Count:28
Complexity:500
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Morantel citrate salt

CAS No.: 69525-81-1

Content: 99.00%

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Guide of Pyrimidine, 1,4,5,6-tetrahydro-1-methyl-2-[(1E)-2-(3-methyl-2-thienyl)ethenyl]-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

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