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Relmapirazin

CAT: 0013-GTR19196642-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196642-03Size:100 mg
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Description
Relmapirazin
CAS Number
1313706-17-0
Smiles
C (N[C@@H] (C (O) =O) CO) (=O) C=1C (N) =NC (C (N[C@@H] (C (O) =O) CO) =O) =C (N) N1
Molecular Formula
C12H16N6O8
Molecular Weight
372.29
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Relmapirazin

Relmapirazin is under investigation in clinical trial NCT05425719 (Pharmacokinetics and Safety of MB-102 (Relmapirazin) and the Medibeacon Transdermal GFR Measurement System in Evaluation of Kidney Function in Normal and Renal Compromised Subjects).

CAS Number1313706-17-0
PubChem CID53389120
IUPAC Name(2R)-2-[[3,6-diamino-5-[[(1R)-1-carboxy-2-hydroxyethyl]carbamoyl]pyrazine-2-carbonyl]amino]-3-hydroxypropanoic acid
Molecular FormulaC12H16N6O8
Molecular Weight372.29
XLogP-2.7
Topological Polar Surface Area251
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Heavy Atom Count26
Formal Charge0
Complexity512
SMILES
C([C@H](C(=O)O)NC(=O)C1=C(N=C(C(=N1)N)C(=O)N[C@H](CO)C(=O)O)N)O
InChI
InChI=1S/C12H16N6O8/c13-7-5(9(21)15-3(1-19)11(23)24)17-8(14)6(18-7)10(22)16-4(2-20)12(25)26/h3-4,19-20H,1-2H2,(H2,14,17)(H2,13,18)(H,15,21)(H,16,22)(H,23,24)(H,25,26)/t3-,4-/m1/s1
InChIKey
XHNJXRDGTITISI-QWWZWVQMSA-N
Chemical Structure
2D Structure
2D structure of Relmapirazin
CAS: 1313706-17-0
CID: 53389120
Formula: C12H16N6O8
MW: 372.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.29
XLogP3-2.7
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Exact Mass372.10296149
Monoisotopic Mass372.10296149
Topological Polar Surface Area251 Ų
Heavy Atom Count26
Formal Charge0
Complexity512
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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MBS5778191Relmapirazin
RM-R132003-01Relmapirazin Nitroso Impurity 3
RM-R132002-01Relmapirazin Nitroso Impurity 2

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