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Details

Stereochemistry ABSOLUTE
Molecular Formula C33H37N5O5.CH4O3S
Molecular Weight 679.783
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIHYDROERGOTAMINE MESYLATE

SMILES

CS(O)(=O)=O.[H][C@@]12CCCN1C(=O)[C@H](CC3=CC=CC=C3)N4C(=O)[C@](C)(NC(=O)[C@H]5CN(C)[C@]6([H])CC7=CNC8=C7C(=CC=C8)[C@@]6([H])C5)O[C@@]24O

InChI

InChIKey=ADYPXRFPBQGGAH-UMYZUSPBSA-N
InChI=1S/C33H37N5O5.CH4O3S/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32;1-5(2,3)4/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39);1H3,(H,2,3,4)/t21-,23-,25-,26+,27+,32-,33+;/m1./s1

HIDE SMILES / InChI
Molecular Formula C33H37N5O5
Molecular Weight 583.6774
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED
Molecular Formula CH4O3S
Molecular Weight 96.106
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:01:05 UTC 2023
Edited
by admin
on Fri Dec 15 15:01:05 UTC 2023
Record UNII
81AXN7R2QT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIHYDROERGOTAMINE MESYLATE
ORANGE BOOK   USAN   USP   USP-RS   VANDF  
USAN  
Official Name English
ERGOTOMAN-3',6',18-TRIONE,9,10-DIHYDRO-12'-HYDROXY-2'-METHYL-5'-(PHENYLMETHYL)-, (5'.ALPHA.)-, MONOMETHANESULPHONATE (SALT)
Common Name English
Dihydroergotamine monomethanesulfonate
Common Name English
DIHYDROERGOTAMINE METHANESULFONATE [MI]
Common Name English
D.H.E. 45
Brand Name English
DIHYDROERGOTAMINE MESYLATE [ORANGE BOOK]
Common Name English
DIHYDROERGOTAMINE MESYLATE COMPONENT OF EMBOLEX
Common Name English
DIHYDROERGOTAMINE MESILATE
EP   MART.   WHO-DD  
Common Name English
Dihydroergotamine mesilate [WHO-DD]
Common Name English
DIHYDROERGOTAMINE MESYLATE [USAN]
Common Name English
DIHYDROERGOTAMINE MESILATE [EP IMPURITY]
Common Name English
EMBOLEX COMPONENT DIHYDROERGOTAMINE MESYLATE
Common Name English
DIHYDROERGOTAMINE MESYLATE [VANDF]
Common Name English
DHE-45
Code English
ERGOTOMAN-3',6',18-TRIONE,9,10-DIHYDRO-12'-HYDROXY-2'-METHYL-5'-(PHENYLMETHYL)-, (5'.ALPHA.)-, MONOMETHANESULFONATE (SALT)
Common Name English
DIHYDROERGOTAMINE METHANE SULFONATE
Common Name English
DIHYDROERGOTAMINE METHANESULFONATE
MI  
Common Name English
DIHYDROERGOTAMINE MESYLATE [USP-RS]
Common Name English
DIHYDROERGOTAMINE MESILATE [MART.]
Common Name English
MIGRANAL
Brand Name English
DIHYDROERGOTAMINE MESILATE [EP MONOGRAPH]
Common Name English
DIHYDROERGOTAMINE MESYLATE [USP MONOGRAPH]
Common Name English
DIHYDROERGOTAMINE MESILATE [JAN]
Common Name English
NSC-759848
Code English
DIHYDROERGOTAMINE MONOMETHANESULPHONATE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C2198
Created by admin on Fri Dec 15 15:01:06 UTC 2023 , Edited by admin on Fri Dec 15 15:01:06 UTC 2023
NCI_THESAURUS C66884
Created by admin on Fri Dec 15 15:01:06 UTC 2023 , Edited by admin on Fri Dec 15 15:01:06 UTC 2023
Code System Code Type Description
CHEBI
59756
Created by admin on Fri Dec 15 15:01:06 UTC 2023 , Edited by admin on Fri Dec 15 15:01:06 UTC 2023
PRIMARY
EVMPD
SUB01718MIG
Created by admin on Fri Dec 15 15:01:06 UTC 2023 , Edited by admin on Fri Dec 15 15:01:06 UTC 2023
PRIMARY
EPA CompTox
DTXSID00904615
Created by admin on Fri Dec 15 15:01:06 UTC 2023 , Edited by admin on Fri Dec 15 15:01:06 UTC 2023
PRIMARY
EVMPD
SUB30067
Created by admin on Fri Dec 15 15:01:06 UTC 2023 , Edited by admin on Fri Dec 15 15:01:06 UTC 2023
PRIMARY
NSC
759848
Created by admin on Fri Dec 15 15:01:06 UTC 2023 , Edited by admin on Fri Dec 15 15:01:06 UTC 2023
PRIMARY
DRUG BANK
DB00320
Created by admin on Fri Dec 15 15:01:06 UTC 2023 , Edited by admin on Fri Dec 15 15:01:06 UTC 2023
PRIMARY
RXCUI
203176
Created by admin on Fri Dec 15 15:01:06 UTC 2023 , Edited by admin on Fri Dec 15 15:01:06 UTC 2023
PRIMARY RxNorm
MERCK INDEX
m4461
Created by admin on Fri Dec 15 15:01:06 UTC 2023 , Edited by admin on Fri Dec 15 15:01:06 UTC 2023
PRIMARY Merck Index
NCI_THESAURUS
C47491
Created by admin on Fri Dec 15 15:01:06 UTC 2023 , Edited by admin on Fri Dec 15 15:01:06 UTC 2023
PRIMARY
RS_ITEM_NUM
1202005
Created by admin on Fri Dec 15 15:01:06 UTC 2023 , Edited by admin on Fri Dec 15 15:01:06 UTC 2023
PRIMARY
ECHA (EC/EINECS)
228-235-6
Created by admin on Fri Dec 15 15:01:06 UTC 2023 , Edited by admin on Fri Dec 15 15:01:06 UTC 2023
PRIMARY
ChEMBL
CHEMBL1732
Created by admin on Fri Dec 15 15:01:06 UTC 2023 , Edited by admin on Fri Dec 15 15:01:06 UTC 2023
PRIMARY
CAS
6190-39-2
Created by admin on Fri Dec 15 15:01:06 UTC 2023 , Edited by admin on Fri Dec 15 15:01:06 UTC 2023
PRIMARY
FDA UNII
81AXN7R2QT
Created by admin on Fri Dec 15 15:01:06 UTC 2023 , Edited by admin on Fri Dec 15 15:01:06 UTC 2023
PRIMARY
DAILYMED
81AXN7R2QT
Created by admin on Fri Dec 15 15:01:06 UTC 2023 , Edited by admin on Fri Dec 15 15:01:06 UTC 2023
PRIMARY
PUBCHEM
71171
Created by admin on Fri Dec 15 15:01:06 UTC 2023 , Edited by admin on Fri Dec 15 15:01:06 UTC 2023
PRIMARY
SMS_ID
100000090575
Created by admin on Fri Dec 15 15:01:06 UTC 2023 , Edited by admin on Fri Dec 15 15:01:06 UTC 2023
PRIMARY
Related Record Type Details
Structure of DIHYDROERGOTAMINE
PARENT -> SALT/SOLVATE
Related Record Type Details
Structure of DIHYDROERGOTAMINE
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