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| CAS Number | 5633-20-5 |
| Catalog Number | AG00IA2B(AGN-PC-0SLCO7) |
| Chemical Name | Oxybutynin |
| IUPAC Name | 4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate |
| InChI | InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3 |
| InChI Key | XIQVNETUBQGFHX-UHFFFAOYSA-N |
| MDL Number | MFCD00865252 |
| Molecular Formula | C22H31NO3 |
| Molecular Weight | 357.4864 |
| SMILES | O=C(OCC#CCN(CC)CC)C(O)(C1CCCCC1)C2=CC=CC=C2 |
| Synonyms | 4-(diethylamino)-2-butynyl-alpha-cyclohexyl-alpha-hydroxybenzeneacetate,
4-(diethylamino)-2-butynyl-alpha-phenylcyclohexaneglycolate,
Apo-Oxybutynin,
Contimin,
Cystonorm,
Cystrin,
Ditropan,
Dresplan,
Dridase,
Driptane,
gelnique,
Gen-Oxybutynin,
Novo-Oxybutynin,
Nu-Oxybutyn,
Oxyb AbZ,
Oxybugamma,
Oxybutin Holsten,
Oxybuton,
oxybutynin,
Oxybutynin AL,
Oxybutynin AZU,
oxybutynin chloride,
Oxybutynin Heumann,
Oxybutynin Hexal,
oxybutynin hydrochloride,
Oxybutynin Stada,
oxybutynin von ct,
Oxybutynin-Puren,
Oxybutynin-ratiopharm,
Oxymedin,
Oxytrol,
PMS-Oxybutynin,
Pollakisu,
Renamel,
Ryol,
Spasmex Oxybutynin,
Spasyt,
Tavor,
Zatur,
oxybutynin,
5633-20-5,
Ditropan,
Oxytrol,
Oxibutyninum,
Oxybutynine,
Oxybutyninum,
Oxibutinina,
Oxybutynine [INN-French],
Oxybutyninum [INN-Latin],
Cystrin,
Oxybutinin,
Oxibutinina [INN-Spanish],
Oxybutynin Base,
transdermal patch,
Lyrinel XL,
Oxybutynin [USAN:INN:BAN],
4-Diethylamino-2-butinyl alpha-cyclohexylmandelat,
CCRIS 1923,
oxybutynin topical gel,
Ditropan Xl,
Oxybutynin (Ditropan),
HSDB 3270,
4-Diethylamino-2-butynyl alpha-phenylcyclohexaneglycolate,
CHEMBL1231,
Cyclohexaneglycolic acid, alpha-phenyl-, 4-(diethylamino)-2-butynyl ester,
Benzeneacetic acid, alpha-cyclohexyl-alpha-hydroxy-, 4-(diethylamino)-2-butynyl ester,
CHEBI:7856,
XIQVNETUBQGFHX-UHFFFAOYSA-N,
4-(Diethylamino)-2-butynyl alpha-phenylcyclohexaneglycolic acid ester,
MFCD00865252,
AK162584,
4-(diethylamino)but-2-yn-1-yl cyclohexyl(hydroxy)phenylacetate,
4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate,
4-(diethylamino)but-2-yn-1-yl 2-cyclohexyl-2-hydroxy-2-phenylacetate,
Anturol,
Pollakisu,
Oxytrol for Women,
Oxybutynin transdermal,
Oxybutynin transdermal patch,
Anturol (TN),
Oxytrol (TN),
Oxybutynin(Ditropan),
(+/-)-oxybutynin,
AC1L1ILV,
Oxybutynin (USAN/INN),
Prestwick0_000287,
Prestwick1_000287,
Prestwick2_000287,
Prestwick3_000287,
SCHEMBL2992,
Ditropan;Lyrinel XL;Oxytrol,
Lopac0_000923,
BSPBio_000194,
GTPL359,
MLS006010052,
SPBio_002413,
BPBio1_000214,
DTXSID0023406,
KS-00000GVI,
4-(diethylamino)-2-butynyl-alpha-phenylcyclohexaneglycolate,
OXYBUTYNIN, Oxybutynin chloride,
BCP12179,
HY-B0267,
4-(diethylamino)-2-butynyl-alpha-cyclohexyl-alpha-hydroxybenzeneacetate,
BDBM50165019,
s1754,
AKOS015896242,
Cyclohexaneglycolic acid, .alpha.-phenyl-, 4-(diethylamino)-2-butynyl ester,
AC-2153,
API0007236,
CCG-205005,
CS-2255,
DB01062,
KS-5221,
MCULE-3407007074,
MRF-0000601,
(+/-)-OXYBUTYNIN(Hydrochloride form),
NCGC00015767-03,
NCGC00015767-04,
NCGC00015767-06,
NCGC00015767-07,
NCGC00015767-09,
NCGC00089795-02,
AN-14276,
CC-33425,
LS-28714,
O222,
SC-26752,
SMR001550466,
SBI-0050898.P002,
AB0013281,
AB2000274,
AX8146542,
FT-0082890,
FT-0603679,
ST24048863,
SW196787-3,
C07360,
D00465,
K-9978,
27815-EP2269989A1,
27815-EP2275420A1,
27815-EP2280008A2,
27815-EP2298767A1,
27815-EP2314587A1,
633O205,
C-20821,
L000923,
I06-2117,
BRD-A65013509-003-03-8,
BRD-A65013509-003-13-7,
4-(Diethylamino)-2-butynyl .alpha.-phenylcyclohexaneglycolate,
4-(Diethylamino)-2-butynyl cyclohexyl(hydroxy)phenylacetate #,
4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenyl-acetate,
4-diethylaminobut-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate,
(R)-4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate,
Benzeneacetic acid, a-cyclohexyl-a-hydroxy-,4-(diethylamino)-2-butynyl ester,
Oxybutynin chloride,
kentera,
Oxybugamma,
Contimin,
Cystonorm,
Dresplan,
Driptane,
Gelnique,
Oxybuton,
Oxymedin,
Dridase,
Renamel,
Oxybutynin hydrochloride,
Spasyt,
Tavor,
Zatur,
Ryol,
Novo-Oxybutynin,
Apo-Oxybutynin,
Gen-Oxybutynin,
Oxybutynin HCl,
Nu-Oxybutyn,
Oxybutin Holsten,
Oxybutynin AL,
Oxybutynin Hexal,
Oxybutynin Stada,
Oxybutynin-Puren,
Oxybutynin AZU,
PMS-Oxybutynin,
oxybutynin von ct,
Oxybutynin Heumann,
Spasmex Oxybutynin,
Oxyb AbZ,
Oxybutynin-ratiopharm,
D0F5LH,
UNII-K9P6MC7092,
C22H31NO3,
CID4634,
K9P6MC7092,
C22-H31-N-O3,
2639B,
C005419,
alpha-phenylcyclohexaneglycolic acid 4-(diethylamino)-2-butynyl ester,
alpha-Cyclohexyl-alpha-hydroxybenzeneacetic acid 4-(diethylamino)-2-butyn-1-yl ester,
Benzeneacetic acid, .alpha.-cyclohexyl-.alpha.-hydroxy-, 4-(diethylamino)-2-butynyl ester,
152121-47-6,
|
| Complexity | 490 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 357.23g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 357.494g/mol |
| Monoisotopic Mass | 357.23g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
| Symbol: | |
| Hazard Class | |
| Hazard statements | H302 |
| Packing Group | |
| Precautionary statements | P280-P305+P351+P338 |
| UN Code |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
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