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Compound Summary

BROMOCRIPTINE MESYLATE

Compound Information

BROMOCRIPTINE MESYLATE

Compound Name:	BROMOCRIPTINE MESYLATE
Compound CID:	31100
Synonyms:	BROMOCRIPTINE MESYLATE 22260-51-1 Parlodel Bromocriptine mesilate Pravidel More...
Iupac Name:	(6aR,9R)-5-bromo-N-[(1S,2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;methanesulfonic acid
InChI:	InChI=1S/C32H40BrN5O5.CH4O3S/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18;1-5(2,3)4/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39);1H3,(H,2,3,4)/t18-,23-,24+,25+,31-,32+;/m1./s1
InChIKey:	NOJMTMIRQRDZMT-GSPXQYRGSA-N
Canonical Smiles:	CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O.CS(=O)(=O)O
Isomeric Smiles:	CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O.CS(=O)(=O)O
Molecular Weight:	750.7
Molecular Formula:	C33H44BrN5O8S

Compound Structure

2D Structure:

3D Structure:

Computed Properties

BROMOCRIPTINE MESYLATE

Molecular Weight:	750.7
Molecular Formula:	C33H44BrN5O8S
Hydrogen Bond Donor Count:	4
Hydrogen Bond Acceptor Count:	9
Rotatable Bond Count:	5
Heavy Atom Count:	48
Complexity:	1320

Synonyms

BROMOCRIPTINE MESYLATE

BROMOCRIPTINE MESYLATE	BROMOCRIPTINE MESYLATE
BROMOCRIPTINE MESYLATE	22260-51-1
Parlodel	Bromocriptine mesilate
Pravidel	Bagren
Bromocryptine mesylate	Bromergon
CB-154 mesylate	Bromocriptine methanesulfonate
(+)-Bromocriptine methanesulfonate	UNII-FFP983J3OD
2-Bromo-alpha-ergocryptine mesylate	CB 154
FFP983J3OD	Bromocriptine (mesylate)
CHEBI:3182	Cycloset
oline-9-carboxamide methanesulfonate	Bromocryptine methanesulfonate
(5a)-2-Bromo-12-hydroxy-2-(1-methylethyl)-5-(2-methylpropyl)ergotaman-3,6,18-trione mesylate	NSC169774
SR-01000597796	EINECS 244-881-1
C32H40BrN5O5.CH3SO3H	2-Bromo-alpha-ergocryptine methanesulfonate
SR-01000075356	2-Bromine-alpha-ergocryptine methanesulfonate
2-Bromo-alpha-ergokryptine-mesilate German	2-Bromoergocryptine monomethanesulfonate (salt)
Bromocriptine mesylate USAN:USP	Parlodel (TN)
(5alpha)-2-bromo-12-hydroxy-5-(2-methylpropyl)-3,6,18-trioxo-2-(propan-2-yl)ergotaman methanesulfonate (salt)	(6aR,9R)-5-Bromo-N-(2R,5S,10aS,10bS)-10b-hydroxy-2-(1-methylethyl)-5-(2-methylpropyl)-3,6-dioxooctahydro-8H-oxazolo3,2-apyrrolo2,1-cpyrazin-2-yl-7-methyl-4,6,6a,7,8,9-hexahydroindolo4,3-fgquin
2-Bromo-alpha-ergokryptine-mesilate	Prestwick_771
CAS-22260-51-1	DSSTox_CID_197
BROMOCRIPTINEMESYLATE	alpha-Ergocryptine, 2-bromo-, methanesulfonate
DSSTox_RID_75426	DSSTox_GSID_20197
SCHEMBL40559	2-Bromo-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3,6,18-trione monomethanesulphonate
Bromocriptine mesylate (USP)	Bromocriptine mesylate- Bio-X
Bromocriptine mesilate (JP17)	CHEMBL1200503
DTXSID6020197	CB 154 methanesulfonate (salt)
HMS1568I04	HMS3260D03
HMS3411K09	HMS3675K09
HMS3712I04	(+)-2-Bromo-12-hydroxy-2-(1-methylethyl)-5-(2-methylpropyl)ergotaman-3,6-18-trione methanesulfonate salt
2-Bromo alpha-Ergocryptine Mesylate	Tox21_303597
Tox21_500171	HY-12705A
.alpha.-Ergocryptine, methanesulfonate	AKOS015896276
CCG-220121	CCG-221475
CS-6048	LP00171
NSC 755915	NSC-169774
NCGC00257268-01	NCGC00260856-01
BB164266	Ergotaman-3,6,18-trione, 2-bromo-12-hydroxy-2-(1-methylethyl)-5-(2-methylpropyl)-, monomethanesulfonate (salt), (5alpha)-
2-Bromo-a-ergocryptine methanesulfonate salt	B6298
EU-0100171	B 2134
D00780	D81822
2-Bromo-.alpha.-ergocryptine monomethanesulfonate	93201-EP2272825A2
93201-EP2305633A1	A903911
SR-01000075356-1	SR-01000597796-1
SR-01000597796-2	Q27105974
(5alpha)-2-bromo-12-hydroxy-5-(2-methylpropyl)-2-(propan-2-yl)-3,6,18-trioxoergotaman methanesulfonate"	(5alpha)-2-bromo-12-hydroxy-5-isobutyl-2-isopropyl-3,6,18-trioxoergotaman methanesulfonate"

Experimental Data

BROMOCRIPTINE MESYLATE

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			15.000000000000000				NS	N2		24134630	Inactive

Experimental Data Visualization

BROMOCRIPTINE MESYLATE

Statistics Data

BROMOCRIPTINE MESYLATE

Species	Avg/Med Lifespan Change(%)	Max Lifespan Change(%)	Count Reference	Count Data point
Caenorhabditis elegans	15.000000000000000		1	1

Statistics Data Visualization

BROMOCRIPTINE MESYLATE

Compound Name:

BROMOCRIPTINE MESYLATE

Compound CID:

31100

Synonyms:

BROMOCRIPTINE MESYLATE 22260-51-1 Parlodel Bromocriptine mesilate Pravidel More...

Iupac Name:

(6aR,9R)-5-bromo-N-[(1S,2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;methanesulfonic acid

InChI:

InChI=1S/C32H40BrN5O5.CH4O3S/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18;1-5(2,3)4/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39);1H3,(H,2,3,4)/t18-,23-,24+,25+,31-,32+;/m1./s1

InChIKey:

NOJMTMIRQRDZMT-GSPXQYRGSA-N

Canonical Smiles:

CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O.CS(=O)(=O)O

Isomeric Smiles:

CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O.CS(=O)(=O)O

Molecular Weight:

750.7

Molecular Formula:

C33H44BrN5O8S

Molecular Weight:

750.7

Molecular Formula:

C33H44BrN5O8S

Hydrogen Bond Donor Count:

4

Hydrogen Bond Acceptor Count:

9

Rotatable Bond Count:

5

Heavy Atom Count:

48

Complexity:

1320

BROMOCRIPTINE MESYLATE

22260-51-1

Parlodel

Bromocriptine mesilate

Pravidel

Bagren

Bromocryptine mesylate

Bromergon

CB-154 mesylate

Bromocriptine methanesulfonate

(+)-Bromocriptine methanesulfonate

UNII-FFP983J3OD

2-Bromo-alpha-ergocryptine mesylate

CB 154

FFP983J3OD

Bromocriptine (mesylate)

CHEBI:3182

Cycloset

oline-9-carboxamide methanesulfonate

Bromocryptine methanesulfonate

(5a)-2-Bromo-12-hydroxy-2-(1-methylethyl)-5-(2-methylpropyl)ergotaman-3,6,18-trione mesylate

NSC169774

SR-01000597796

EINECS 244-881-1

C32H40BrN5O5.CH3SO3H

2-Bromo-alpha-ergocryptine methanesulfonate

SR-01000075356

2-Bromine-alpha-ergocryptine methanesulfonate

2-Bromo-alpha-ergokryptine-mesilate German

2-Bromoergocryptine monomethanesulfonate (salt)

Bromocriptine mesylate USAN:USP

Parlodel (TN)

(5alpha)-2-bromo-12-hydroxy-5-(2-methylpropyl)-3,6,18-trioxo-2-(propan-2-yl)ergotaman methanesulfonate (salt)

(6aR,9R)-5-Bromo-N-(2R,5S,10aS,10bS)-10b-hydroxy-2-(1-methylethyl)-5-(2-methylpropyl)-3,6-dioxooctahydro-8H-oxazolo3,2-apyrrolo2,1-cpyrazin-2-yl-7-methyl-4,6,6a,7,8,9-hexahydroindolo4,3-fgquin

2-Bromo-alpha-ergokryptine-mesilate

Prestwick_771

CAS-22260-51-1

DSSTox_CID_197

BROMOCRIPTINEMESYLATE

alpha-Ergocryptine, 2-bromo-, methanesulfonate

DSSTox_RID_75426

DSSTox_GSID_20197

SCHEMBL40559

2-Bromo-12-hydroxy-5alpha-isobutyl-2-isopropylergotaman-3,6,18-trione monomethanesulphonate

Bromocriptine mesylate (USP)

Bromocriptine mesylate- Bio-X

BROMOCRIPTINE MESYLATE

22260-51-1

Parlodel

Bromocriptine mesilate

Pravidel

More...