CAS No.: 1357570-21-8 — Ramipril Acyl-beta-D-glucuronide (Ramipril Acyl-β-D-glucuronide)

1. Primary Information

English name:	Ramipril Acyl-beta-D-glucuronide
CAS No.:	1357570-21-8
Molecular formula:	C₂₉H₄₀N₂O₁₁
Molecular weight:	592.6 g/mol
SMILES:	CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C3CCCC3CC2C(=O)OC4C(C(C(C(O4)C(=O)O)O)O)O
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1mg	-	5760	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 82 85 0 1 0 0 0 0 0999 V2000 2.3996 -0.4144 1.2470 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8834 -3.5289 0.1246 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5362 -1.0301 -0.8053 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5973 0.7798 -0.3785 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4957 1.0178 2.3391 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6090 3.8954 1.1323 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7939 4.2471 -0.5210 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4824 1.9181 0.1439 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5966 1.0999 2.2960 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1613 2.8110 -2.7779 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2226 0.5763 -2.3323 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3903 -3.2093 0.4066 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4738 -1.2984 1.4296 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3148 -4.3799 -0.4026 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7864 -4.2762 -0.5080 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6985 -3.5614 0.8275 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8553 -3.8570 -1.7314 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4818 -3.9601 -1.9772 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5473 -2.5825 1.0351 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7758 -4.2572 -2.7227 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9455 -2.9648 0.6923 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8134 -1.2701 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2188 -1.9464 1.7702 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7087 0.8793 0.7348 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3074 -2.6314 3.1192 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3435 1.7112 1.8570 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2780 -0.2828 0.4021 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7679 3.0908 1.3483 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5893 2.9626 0.0571 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8984 2.0497 -0.9537 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5876 0.0426 -0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7553 0.9680 1.0892 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7126 0.6049 0.5462 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8219 1.7020 -2.0763 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9592 0.9699 -0.2194 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9699 3.1571 0.6444 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1075 2.2557 -0.7392 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9644 0.0215 -0.4077 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7217 4.0937 -0.5187 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2610 2.5932 -1.4474 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1179 0.3588 -1.1156 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2662 1.6446 -1.6355 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6218 -5.4264 -0.2838 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2953 -5.2046 -0.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6767 -3.0792 0.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7452 -4.2360 1.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8203 -4.3106 -1.9794 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9986 -2.7737 -1.7325 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3435 -4.5711 -2.3574 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1984 -2.9107 -2.1168 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3653 -2.4165 2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8484 -3.7051 -3.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8449 -5.3282 -2.9478 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4233 -1.2017 1.8355 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7731 1.3522 0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9093 -0.8866 2.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1208 -3.3666 3.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3864 -3.1717 3.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4883 -1.9048 3.9191 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6361 1.7915 2.6905 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5381 -0.6032 -0.3418 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3776 3.6131 2.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5735 2.5513 0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9884 2.4896 -1.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3796 0.7567 -1.1422 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9463 -0.8682 -0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8715 1.5451 3.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9794 -0.1208 1.3249 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3664 1.4955 1.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1421 3.9698 1.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4287 4.1490 -1.2503 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7696 2.6039 -3.5191 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7016 3.6034 1.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0357 2.9741 1.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3300 3.0025 -0.6011 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8595 -0.9842 -0.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0028 3.6547 -1.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6465 4.2669 -1.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3329 5.0547 -0.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3762 3.5942 -1.8527 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9004 -0.3799 -1.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1642 1.9071 -2.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 24 1 0 0 0 0 2 21 2 0 0 0 0 3 22 2 0 0 0 0 4 24 1 0 0 0 0 4 30 1 0 0 0 0 5 26 1 0 0 0 0 5 67 1 0 0 0 0 6 28 1 0 0 0 0 6 70 1 0 0 0 0 7 29 1 0 0 0 0 7 71 1 0 0 0 0 8 32 1 0 0 0 0 8 36 1 0 0 0 0 9 32 2 0 0 0 0 10 34 1 0 0 0 0 10 72 1 0 0 0 0 11 34 2 0 0 0 0 12 15 1 0 0 0 0 12 19 1 0 0 0 0 12 21 1 0 0 0 0 13 23 1 0 0 0 0 13 27 1 0 0 0 0 13 56 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 43 1 0 0 0 0 15 18 1 0 0 0 0 15 44 1 0 0 0 0 16 19 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 20 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 20 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 22 1 0 0 0 0 19 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 23 1 0 0 0 0 23 25 1 0 0 0 0 23 54 1 0 0 0 0 24 26 1 0 0 0 0 24 55 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 28 1 0 0 0 0 26 60 1 0 0 0 0 27 31 1 0 0 0 0 27 32 1 0 0 0 0 27 61 1 0 0 0 0 28 29 1 0 0 0 0 28 62 1 0 0 0 0 29 30 1 0 0 0 0 29 63 1 0 0 0 0 30 34 1 0 0 0 0 30 64 1 0 0 0 0 31 33 1 0 0 0 0 31 65 1 0 0 0 0 31 66 1 0 0 0 0 33 35 1 0 0 0 0 33 68 1 0 0 0 0 33 69 1 0 0 0 0 35 37 2 0 0 0 0 35 38 1 0 0 0 0 36 39 1 0 0 0 0 36 73 1 0 0 0 0 36 74 1 0 0 0 0 37 40 1 0 0 0 0 37 75 1 0 0 0 0 38 41 2 0 0 0 0 38 76 1 0 0 0 0 39 77 1 0 0 0 0 39 78 1 0 0 0 0 39 79 1 0 0 0 0 40 42 2 0 0 0 0 40 80 1 0 0 0 0 41 42 1 0 0 0 0 41 81 1 0 0 0 0 42 82 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(3S,5S,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

4.2 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

4.3 InChIKey

ZJZVWDOXIZGYPD-XHPMATLTSA-N

4.4 Canonical SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C3CCCC3CC2C(=O)OC4C(C(C(C(O4)C(=O)O)O)O)O

4.5 Isomeric 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

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)