Small Molecule atropine

URN urn:agi-cas:51-55-8
Total Entities 2
Connectivity 741
Name atropine

ChildConcepts Hyoscyamine
D-Hyoscyamine

Pathway organophosphate response pathway

MedScan ID 1220147
1020090

Alias ATROPINE, SULFATE (1:1)
1alphah, 5alphah-tropan-3alpha-ol (+/-)-tropate (ester), sulfate (2:1) (salt) (8ci)
Troyl tropate
(+/-)-Atropine
(+/-)-Hyoscyamine
(+/-)-Tropyl tropate
1ah,5ah-tropan-3a-ol (+/-)-tropate (ester)
1ah,5ah-tropan-3a-ol (+/-)-tropate (ester) sulfate (2:1) (salt)
1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, (+/-)-tropate (ester) hydrochloride
1-alpha-H,5-alpha-H-Tropan-3-alpha-ol (+/-)-tropate (ester)
3-hydroxy-2-phenyl-propanoic acid (8-methyl-8-azabicyclo[3.2.1]oct-3-yl) ester; sulfuric acid
1-alpha-H,5-alpha-H-Tropan-3alpha-ol (+/-)-tropate (ester), sulfate (2:1) (salt) monohydrate
alpha-(hydroxymethyl)- 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester endo-(+/-)-benzeneacetic acid sulfate (2:1) (salt)
2-Phenylhydracrylic acid 3-alpha-tropanyl ester
3-hydroxy-2-phenyl-propanoate (8-methyl-8-azabicyclo[3.2.1]oct-3-yl) ester; sulfurate
Atropinsulfat
Atropine, sulfate (2:1)
AI3-14072
Atropinium sulfate
AI3-60219
a-(hydroxymethyl)-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester endo-(+/-)-benzeneacetic acid sulfate (2:1) (salt)
Atropine sulfate
1alphaH,5alphaH-Tropan-3alpha-ol (+/-)-tropate (ester), sulfate (2:1) (salt)
Sulfatropinol
Atropine hydrochloride
atropine free base crystalline
atropine d,l-hyoscyamine mu-(hydroxymethyl)benzeneacetic acid 8-methyl-8-azabicyclo-(3.2.1)oct-3-yl ester
Atropine
Atropina
Atropin siran
Atropine sulfate anhydrous
Atropen
atropinsal
Atropin
Atropine sulfate hydrate
Atropine sulfate monohydrate
Atropine sulphate
alpha-(hydroxymethyl)-Benzeneacetic acid (3-endo)-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester
Atropin-flexiolen
3-(2-((3-(2-Carboxyethyl)-4-methyl-5-[(Z)-(3-methyl-5-oxo-4-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl)methyl)-4-methyl-5-[(Z)-(4-methyl-5-oxo-3-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene
Atropinol
alpha-(Hydroxymethyl)benzeneacetic acid 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester
Davurtrop
atropisal
Atropisol
atropisol(r) ophthalmic solution
beta-Phenyl-gamma-oxypropionsaeure-tropyl-ester
Ryuato
CCRIS 3080
endo-(+/-)-alpha-(hydroxymethyl)-Benzeneacetic acid 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester sulfate (2:1) (salt)
d,l-Tropic acid 1-alpha-(H),5-alpha-(H)-tropanyl-3-yl ester hydrochloride
EINECS 200-235-0
Atrosulf
dl-Hyoscyamine
DL-Tropanyl 2-hydroxy-1-phenylpropionate
DL-Tropanyl 2-hydroxy-1-phenylpropionate sulfate
dl-tropyl tropate
dl-Tropyltropate
Tropintran
EINECS 200-104-8
endo-(+/-)-alpha-(hydroxymethyl)-8-methyl-8-azabicyclo(3,2,1)oct-3-yl benzeneacetic acid ester
Corbella
Ichtho-bellol
endo-(+/-)-alpha-(Hydroxymethyl)benzeneacetic acid 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester
endo-(+/-)-alpha-(hydroxymethyl)-Benzeneacetic acid 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester sulfate (2:1) (salt) monohydrate
Eyesule
beta-Phenyl-gamma-oxypropionsaure-tropyl-ester
HSDB 2199
NSC 26671
Isopto-atropine
Lio-atropin
EINECS 251-757-0
racemic hyoscyamine
Sulfate d'atropine
Tropic acid, 3-alpha-tropanyl ester
Tropic acid, ester with tropine
Atropette
Tropine tropate
Tropine, tropate (ester)
Atropiny siarczan
Colonaid
Eyesules

KEGG ID C01479

IUPAC Name 3-hydroxy-2-phenyl-propionic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester
3-hydroxy-2-phenyl-propionic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester; sulfuric acid
3-hydroxy-2-phenyl-propionic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester hydrochloride
3-hydroxy-2-phenyl-propionic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester; sulfuric acid; hydrate

InChIKey RKUNBYITZUJHSG-UHFFFAOYSA-N
HOBWAPHTEJGALG-UHFFFAOYSA-N
VJFQPODMEGSXHC-UHFFFAOYSA-N
OJIPQOWZZMSBGY-UHFFFAOYSA-N
JPKKQJKQTPNWTR-UHFFFAOYSA-N

Rotatable Bond Count 5
10

ChEBI ID 16684

CAS ID 17108-73-5
55-48-1
2472-17-5
33952-38-4
51-55-8
78597-12-3
5908-99-6

Molecular Weight 289.369420
676.817320
387.447900
325.830360
694.832600

PubChem SID 148743
160375
178118
197193
206593

PubChem CID 5927
17184
36634
3661
64663

XLogP 1.800000

Molecular Formula C17H23NO3
C34H48N2O10S
C17H25NO7S
C17H24ClNO3
C34H50N2O11S

LinkUrl http://rgd.mcw.edu/rgdweb/ontology/annot.html?acc_id=CHEBI:16684