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Citrulline malate

Citrulline malate structure

CAS No:
70796-17-7
Formula:
C6H13N3O3.C4H6O5
Chemical Name:
Citrulline malate
Synonyms:
L-Ornithine,N5-(aminocarbonyl)-,2-hydroxybutanedioate (1:1);L-Ornithine,N5-(aminocarbonyl)-,hydroxybutanedioate (1:1);Butanedioic acid,hydroxy-,compd. with N5-(aminocarbonyl)-L-ornithine (1:1);l-Citrulline dl-malate;Stimol;Citrulline malate;L-Citrulline malate;54940-97-5;62140-20-9
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Citrulline malate Basic Attributes

Molecular Weight：

309.27 g/mol

Exact Mass：

309.11721457 g/mol

Characteristics

PSA：

213 Å²

XLogP3：

-0.45510

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

citrulline malate

Computed Properties

Molecular Weight:309.27
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:8
Exact Mass:309.11721457
Monoisotopic Mass:309.11721457
Topological Polar Surface Area:213
Heavy Atom Count:21
Complexity:300
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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