CAS No.: 107233-08-9 — Cevimeline (Cevimeline)

1. Primary Information

English name:	Cevimeline
CAS No.:	107233-08-9
Molecular formula:	C₁₀H₁₇NOS
Molecular weight:	199.32 g/mol
SMILES:	CC1OC2(CN3CCC2CC3)CS1
Structural class:
Other identifiers:	2-methyspiro(1,3-oxathiolane-5,3)quinuclidine AF 102B AF 102B, (cis-(+))-isomer AF 102B, (trans)-isomer AF-102B

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	5mg	90%	792	-20℃	in stock	-
Kehua Intelligence	10mg	90%	1160	-20℃	in stock	-
Kehua Intelligence	50mg	90%	4560	-20℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 30 32 0 1 0 0 0 0 0999 V2000 2.5388 1.3731 0.3533 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2115 -0.8117 -0.3408 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1258 -0.3789 -0.9177 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2364 0.2575 -0.3179 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5365 0.2475 1.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7886 -0.0228 -1.4504 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7254 1.2207 0.9573 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1378 -1.1591 1.2368 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6633 0.7836 -0.1784 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9893 -1.5207 0.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0238 1.5464 -0.6057 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3712 -0.4258 0.4091 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5851 -1.1098 -0.1931 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1058 0.4911 1.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9053 0.8521 -2.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4383 -0.8345 -2.1008 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3840 2.2479 0.7945 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2733 1.2187 1.9075 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7590 -1.1735 2.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3489 -1.9057 1.3825 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6537 0.5387 0.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8277 1.6199 -0.8693 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5468 -2.3754 -0.5166 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9824 -1.8568 0.3335 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3194 1.5973 -1.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4889 2.4642 -0.3538 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2383 -0.7463 1.4476 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5039 -0.8595 0.3469 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4564 -2.1977 -0.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7098 -0.8493 -1.2506 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 14 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 9 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 10 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(2R,5R)-2-methylspiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane]

4.2 InChI

InChI=1S/C10H17NOS/c1-8-12-10(7-13-8)6-11-4-2-9(10)3-5-11/h8-9H,2-7H2,1H3/t8-,10-/m1/s1

4.3 InChIKey

WUTYZMFRCNBCHQ-PSASIEDQSA-N

4.4 Canonical SMILES

CC1OC2(CN3CCC2CC3)CS1

4.5 Isomeric SMILES

C[C@@H]1O[C@]2(CN3CCC2CC3)CS1

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

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)