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Ramipril acyl-b-D-glucuronide

CAT: 0926-MR09515-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-MR09515-01Size:1 mg
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CAS Number
1357570-21-8
MDL Number
MFCD09841227
Smiles
CCOC (=O) [C@H] (CCC1=CC=CC=C1) N[C@@H] (C) C (=O) N2[C@H]3CCC[C@H]3C[C@H]2C (=O) O[C@H]4[C@H] (C ([C@@H] (C (O4) C (=O) O) O) O) O
Molecular Formula
C29H40N2O11
Molecular Weight
592.63 g/mol
Controlled
No

Chemical Information

Ramipril acyl-B-D-glucuronide
CAS Number1357570-21-8
PubChem CID76973982
IUPAC Name(2S,3S,4S,5R,6S)-6-[(2S,3aS,6aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular FormulaC29H40N2O11
Molecular Weight592.6
XLogP-0.1
Topological Polar Surface Area192
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count13
Heavy Atom Count42
Formal Charge0
Complexity973
SMILES
CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2[C@H]3CCC[C@H]3C[C@H]2C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O
InChI
InChI=1S/C29H40N2O11/c1-3-40-27(38)18(13-12-16-8-5-4-6-9-16)30-15(2)25(35)31-19-11-7-10-17(19)14-20(31)28(39)42-29-23(34)21(32)22(33)24(41-29)26(36)37/h4-6,8-9,15,17-24,29-30,32-34H,3,7,10-14H2,1-2H3,(H,36,37)/t15-,17-,18-,19-,20-,21-,22-,23+,24-,29-/m0/s1
InChIKey
ZJZVWDOXIZGYPD-UIKYHUQUSA-N
Chemical Structure
2D Structure
2D structure of Ramipril acyl-B-D-glucuronide
CAS: 1357570-21-8
CID: 76973982
Formula: C29H40N2O11
MW: 592.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight592.6
XLogP3-0.1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count13
Exact Mass592.26321010
Monoisotopic Mass592.26321010
Topological Polar Surface Area192 Ų
Heavy Atom Count42
Formal Charge0
Complexity973
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRC-R111005-2MGRamipril Acyl-b-D-glucuronide
294556-01Ramipril-D5 acyl-b-D-glucuronide
sc-219942Ramipril-d5 Acyl-β-D-glucuronide
TRC-R111005-5MGRamipril Acyl-Beta-D-glucuronide
BICL4192-01Ramipril-acyl-beta-D-glucuronide
AR-R01139-01Ramipril Acyl Glucuronide
GC0368-2mg(R, S) -Ramipril acyl-β-D-glucuronide
sc-219936Ramipril Acyl-β-D-glucuronide, ~ 80% By HPLC
sc-219937Ramipril Acyl-α-D-glucuronide Allyl Ester
TRC-R111007-25MGRamipril-d5 Acyl-beta-D-glucuronide

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