U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C35H41N5O5.CH4O3S
Molecular Weight 707.836
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIHYDROERGOCRISTINE MESYLATE

SMILES

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

InChI

InChIKey=SPXACGZWWVIDGR-SPZWACKZSA-N
InChI=1S/C35H41N5O5.CH4O3S/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34;1-5(2,3)4/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41);1H3,(H,2,3,4)/t23-,25-,27-,28+,29+,34-,35+;/m1./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
DIHYDROERGOCRISTINE MESYLATE
VANDF  
Common Name English
DIHYDROERGOCRISTINE METHANESULFONATE
MI  
Common Name English
ERGOTAMAN-3',6',18-TRIONE, 9,10-DIHYDRO-12'-HYDROXY-2'-(1-METHYLETHYL)-5'-(PHENYLMETHYL)-, (5'.ALPHA.,10.ALPHA.)-, MONOMETHANESULFONATE (SALT)
Common Name English
9,10-DIHYDROERGOCRISTINE METHANESULPHONATE
Common Name English
DIHYDROERGOCRISTINE MESYLATE [VANDF]
Common Name English
5'.ALPHA.-BENZYL-9,10.ALPHA.-DIHYDRO-12'-HYDROXY-2'-ISOPROPYLERGOTAMAN-3',6',18-TRIONE MONOMETHANESULPHONATE
Common Name English
9,10-DIHYDROERGOCRISTINE METHANESULFONATE
Common Name English
ERGOTAMAN-3',6',18-TRIONE, 9,10-DIHYDRO-12'-HYDROXY-2'-(1-METHYLETHYL)-5'-(PHENYLMETHYL)-, (5'.ALPHA.,10.ALPHA.)-, MONOMETHANESULPHONATE (SALT)
Common Name English
DIHYDROERGOCRISTINE MESILATE [EP MONOGRAPH]
Common Name English
Dihydroergocristine mesilate [WHO-DD]
Common Name English
DIHYDROERGOCRISTINE METHANESULFONATE [MI]
Common Name English
DIHYDROERGOCRISTINE MONOMESYLATE
Common Name English
DIHYDROERGOCRISTINE MESILATE [MART.]
Common Name English
DIHYDROERGOCRISTINE MESILATE
EP   MART.   WHO-DD  
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C29713
Created by admin on Fri Dec 15 15:30:46 UTC 2023 , Edited by admin on Fri Dec 15 15:30:46 UTC 2023
NCI_THESAURUS C66884
Created by admin on Fri Dec 15 15:30:46 UTC 2023 , Edited by admin on Fri Dec 15 15:30:46 UTC 2023
Code System Code Type Description
EVMPD
SUB13587MIG
Created by admin on Fri Dec 15 15:30:46 UTC 2023 , Edited by admin on Fri Dec 15 15:30:46 UTC 2023
PRIMARY
EPA CompTox
DTXSID20872322
Created by admin on Fri Dec 15 15:30:46 UTC 2023 , Edited by admin on Fri Dec 15 15:30:46 UTC 2023
PRIMARY
MERCK INDEX
m4980
Created by admin on Fri Dec 15 15:30:46 UTC 2023 , Edited by admin on Fri Dec 15 15:30:46 UTC 2023
PRIMARY Merck Index
NCI_THESAURUS
C75939
Created by admin on Fri Dec 15 15:30:46 UTC 2023 , Edited by admin on Fri Dec 15 15:30:46 UTC 2023
PRIMARY
SMS_ID
100000091063
Created by admin on Fri Dec 15 15:30:46 UTC 2023 , Edited by admin on Fri Dec 15 15:30:46 UTC 2023
PRIMARY
DRUG BANK
DBSALT002618
Created by admin on Fri Dec 15 15:30:46 UTC 2023 , Edited by admin on Fri Dec 15 15:30:46 UTC 2023
PRIMARY
CAS
24730-10-7
Created by admin on Fri Dec 15 15:30:46 UTC 2023 , Edited by admin on Fri Dec 15 15:30:46 UTC 2023
PRIMARY
RXCUI
42645
Created by admin on Fri Dec 15 15:30:46 UTC 2023 , Edited by admin on Fri Dec 15 15:30:46 UTC 2023
PRIMARY RxNorm
PUBCHEM
444034
Created by admin on Fri Dec 15 15:30:46 UTC 2023 , Edited by admin on Fri Dec 15 15:30:46 UTC 2023
PRIMARY
CHEBI
31490
Created by admin on Fri Dec 15 15:30:46 UTC 2023 , Edited by admin on Fri Dec 15 15:30:46 UTC 2023
PRIMARY
ECHA (EC/EINECS)
246-434-6
Created by admin on Fri Dec 15 15:30:46 UTC 2023 , Edited by admin on Fri Dec 15 15:30:46 UTC 2023
PRIMARY
DAILYMED
DS7CL18UAM
Created by admin on Fri Dec 15 15:30:46 UTC 2023 , Edited by admin on Fri Dec 15 15:30:46 UTC 2023
PRIMARY
FDA UNII
DS7CL18UAM
Created by admin on Fri Dec 15 15:30:46 UTC 2023 , Edited by admin on Fri Dec 15 15:30:46 UTC 2023
PRIMARY