Compound Summary
PROPANTHELINE BROMIDE
Compound Information
PROPANTHELINE BROMIDE
Compound Name: | PROPANTHELINE BROMIDE |
Compound CID: | 9279 |
Synonyms: | PROPANTHELINE BROMIDE 50-34-0 Pro-Banthine Propantheline (bromide) Neometantyl More... |
Iupac Name: | methyl-di(propan-2-yl)-[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium;bromide |
InChI: | InChI=1S/C23H30NO3.BrH/c1-16(2)24(5,17(3)4)14-15-26-23(25)22-18-10-6-8-12-20(18)27-21-13-9-7-11-19(21)22;/h6-13,16-17,22H,14-15H2,1-5H3;1H/q+1;/p-1 |
InChIKey: | XLBIBBZXLMYSFF-UHFFFAOYSA-M |
Canonical Smiles: | CC(C)[N+](C)(CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13)C(C)C.[Br-] |
Isomeric Smiles: | CC(C)[N+](C)(CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13)C(C)C.[Br-] |
Molecular Weight: | 448.4 |
Molecular Formula: | C23H30BrNO3 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
PROPANTHELINE BROMIDE
Molecular Weight: | 448.4 |
Molecular Formula: | C23H30BrNO3 |
Hydrogen Bond Donor Count: | 0 |
Hydrogen Bond Acceptor Count: | 4 |
Rotatable Bond Count: | 7 |
Heavy Atom Count: | 28 |
Complexity: | 474 |
Synonyms
PROPANTHELINE BROMIDE
| PROPANTHELINE BROMIDE | PROPANTHELINE BROMIDE |
|---|---|
PROPANTHELINE BROMIDE |
50-34-0 |
Pro-Banthine |
Propantheline (bromide) |
Neometantyl |
Neopepulsan |
UNII-UX9Z118X9F |
(2-Hydroxyethyl)diisopropylmethylammonium bromide xanthene-9-carboxylate |
MLS000028703 |
UX9Z118X9F |
MFCD00050291 |
NCGC00094306-02 |
SMR000058661 |
DSSTox_CID_3519 |
DSSTox_RID_77062 |
DSSTox_GSID_23519 |
CCRIS 6271 |
NCI-C56257 |
CAS-50-34-0 |
SR-01000003171 |
Propanthelini bromidum INN-Latin |
EINECS 200-030-6 |
Bromuro de proantelina INN-Spanish |
Bromure de propantheline INN-French |
SC-3171 |
N-(2-(9H-xanthene-9-carbonyloxy)ethyl)-N-isopropyl-N-methylpropan-2-aminium bromide |
Propantheline,(S) |
2-Propanaminium, N-methyl-N-(1-methylethyl)-N-(2-((9H-xanthen-9-ylcarbonyl)oxy)ethyl)-, bromide (1:1) |
2-Propanaminium, N-methyl-N-(1-methylethyl)-N-2-(9H-xanthen-9-ylcarbonyl)oxyethyl-, bromide (1:1) |
N-methyl-N-(1-methylethyl)-N-{2-(9H-xanthen-9-ylcarbonyl)oxyethyl}propan-2-aminium bromide |
Prestwick_241 |
Propantheline bromide USP:INN:BAN:JAN |
Opera_ID_1667 |
Diisopropyl(2-hydroxyethyl)methylammonium bromide xanthene-9-carboxylate |
CHEMBL1240 |
Xanthene-9-carboxylic acid, ester with (2-hydroxyethyl)diisopropylmethylammonium bromide |
REGID_for_CID_9279 |
SCHEMBL40291 |
2-Propanaminium, N-methyl-N-(1-methylethyl)-N-(2-((9H-xanthen-9-ylcarbonyl)oxy)ethyl)-, bromide |
MLS001076547 |
MLS001333690 |
SPECTRUM1500511 |
CHEBI:8482 |
DTXSID2023519 |
HMS502I04 |
HMS1570F15 |
HMS1920L18 |
HMS2092C19 |
HMS2097F15 |
HMS2234M23 |
HMS3259E04 |
HMS3263K09 |
HMS3370N21 |
HMS3714F15 |
HMS3886K03 |
Pharmakon1600-01500511 |
HY-B1188 |
Tox21_111265 |
Tox21_302331 |
Tox21_501014 |
CCG-39238 |
NSC757294 |
AKOS015895527 |
Ammonium, diisopropyl(2-hydroxyethyl)methyl-, bromide, xanthene-9-carboxylate |
Tox21_111265_1 |
CS-4797 |
KS-1386 |
LP01014 |
NC00529 |
NSC 757294 |
NSC-757294 |
Propantheline bromide (JP17/USP/INN) |
NCGC00015854-10 |
NCGC00094306-01 |
NCGC00094306-03 |
NCGC00094306-04 |
NCGC00094306-05 |
NCGC00255145-01 |
NCGC00261699-01 |
2-Propanaminium,N-methyl-N-(1-methylethyl)-N-2-(9H-xanthen-9-ylcarbonyl)oxyethyl-,bromide |
AC-13428 |
DB-051756 |
EU-0101014 |
FT-0603218 |
V0361 |
Propantheline bromide, >=97% (TLC), powder |
D00481 |
D82053 |
P 8891 |
A828073 |
SR-01000003171-2 |
SR-01000003171-4 |
SR-01000003171-7 |
W-105970 |
Q27291318 |
Propantheline bromide, United States Pharmacopeia (USP) Reference Standard |
(2-Hydroxyethyl)diisopropylmethylammonium bromide xanthene-9-carboxylate bromide |
methyl-2-oxo(9H-xanthen-9-yl)methoxyethyl-di(propan-2-yl)ammonium bromide |
methyl-di(propan-2-yl)-2-(9H-xanthen-9-ylcarbonyloxy)ethylazanium bromide |
Propantheline Bromide, Pharmaceutical Secondary Standard; Certified Reference Material |
Experimental Data
PROPANTHELINE BROMIDE
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33.000000000000000 | umol/L | -3.000000000000000 | NS | N2 | 24134630 | Inactive | ||||||
| Drosophila melanogaster | 20.000000000000000 | umol/L | 47.990000000000000 | 47.930000000000000 | -0.130000000000000 | NS | FEMALES | 33008901 | Inactive | ||||
| Caenorhabditis elegans | 100.000000000000000 | umol/L | 15.990000000000000 | 14.470000000000000 | -9.531000000000000 | NS | N2 | 33008901 | Inactive | ||||
| Drosophila melanogaster | 200.000000000000000 | umol/L | 42.220000000000000 | 41.770000000000000 | -1.060000000000000 | NS | MALES | 33008901 | Inactive | ||||
| Caenorhabditis elegans | 10.000000000000000 | umol/L | 16.180000000000000 | 15.520000000000000 | -4.064000000000000 | NS | N2 | 33008901 | Inactive |
Experimental Data Visualization
PROPANTHELINE BROMIDE
Statistics Data
PROPANTHELINE BROMIDE
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -3.000000000000000 | 2 | 3 | |
| Drosophila melanogaster | -0.130000000000000 | 1 | 2 |
Statistics Data Visualization
PROPANTHELINE BROMIDE
