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Details

Stereochemistry ABSOLUTE
Molecular Formula C38H52N6O2.CH4O3S.H2O
Molecular Weight 738.979
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TIRILAZAD MESYLATE

SMILES

O.CS(O)(=O)=O.[H][C@@]12C[C@@H](C)[C@H](C(=O)CN3CCN(CC3)C4=CC(=NC(=N4)N5CCCC5)N6CCCC6)[C@@]1(C)CC=C7[C@@]2([H])CCC8=CC(=O)C=C[C@]78C

InChI

InChIKey=NTRLSGIBUFLYST-VFTWSTDHSA-N
InChI=1S/C38H52N6O2.CH4O3S.H2O/c1-26-22-31-29-9-8-27-23-28(45)10-12-37(27,2)30(29)11-13-38(31,3)35(26)32(46)25-41-18-20-43(21-19-41)34-24-33(42-14-4-5-15-42)39-36(40-34)44-16-6-7-17-44;1-5(2,3)4;/h10-12,23-24,26,29,31,35H,4-9,13-22,25H2,1-3H3;1H3,(H,2,3,4);1H2/t26-,29-,31+,35-,37+,38+;;/m1../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
TIRILAZAD MESYLATE
USAN  
USAN  
Official Name English
PREGNA-1,4,9(11)-TRIENE-3,20-DIONE, 21-(4-(2,6-DI-1-PYRROLIDINYL-4-PYRIMIDINYL)-1-PIPERAZINYL)-16-METHYL-, (16.ALPHA.)-, MONOMETHANESULFONATE, MONOHYDRATE
Systematic Name English
PNU 74006F
Code English
TIRILAZAD METHANESULFONATE MONOHYDRATE [MI]
Common Name English
21-(4-(2,6-DI-1-PYRROLIDINYL-4-PYRIMIDINYL)-1-PIPERAZINYL)-16.ALPHA.-METHYLPREGNA-1,4,9(11)-TRIENE-3,20-DIONE MONOMETHANESULPHONATE, HYDRATE
Common Name English
PREGNA-1,4,9(11)-TRIENE-3,20-DIONE, 21-(4-(2,6-DI-1-PYRROLIDINYL-4-PYRIMIDINYL)-1-PIPERAZINYL)-16-METHYL-, (16.ALPHA.)-, MONOMETHANESULFONATE, HYDRATE
Common Name English
TIRILAZAD MESYLATE HYDRATE
Common Name English
Tirilazad mesilate [WHO-DD]
Common Name English
21-[4-(2,6-Di-1-pyrrolidinyl-4-pyrimidinyl)-1-piperazinyl]-16α-methylpregna-1,4,9(11)-triene-3,20-dione monomethanesulfonate, hydrate
Common Name English
PREGNA-1,4,9(11)-TRIENE-3,20-DIONE, 21-(4-(2,6-DI-1-PYRROLIDINYL-4-PYRIMIDINYL)-1-PIPERAZINYL)-16-METHYL-, (16.ALPHA.)-, MONOMETHANESULPHONATE, HYDRATE
Common Name English
U-74006F
Code English
TIRALAZAD MESILATE HYDRATE
Common Name English
TIRILAZAD MESYLATE [USAN]
Common Name English
TIRALAZAD MESYLATE HYDRATE
Common Name English
FREEDOX
Brand Name English
Classification Tree Code System Code
NCI_THESAURUS C211
Created by admin on Sat Dec 16 08:53:39 UTC 2023 , Edited by admin on Sat Dec 16 08:53:39 UTC 2023
Code System Code Type Description
ChEMBL
CHEMBL1908849
Created by admin on Sat Dec 16 08:53:39 UTC 2023 , Edited by admin on Sat Dec 16 08:53:39 UTC 2023
PRIMARY
RXCUI
59827
Created by admin on Sat Dec 16 08:53:39 UTC 2023 , Edited by admin on Sat Dec 16 08:53:39 UTC 2023
PRIMARY RxNorm
CAS
149042-61-5
Created by admin on Sat Dec 16 08:53:39 UTC 2023 , Edited by admin on Sat Dec 16 08:53:39 UTC 2023
NON-SPECIFIC STOICHIOMETRY
FDA UNII
HXS259UWKW
Created by admin on Sat Dec 16 08:53:39 UTC 2023 , Edited by admin on Sat Dec 16 08:53:39 UTC 2023
PRIMARY
PUBCHEM
6918013
Created by admin on Sat Dec 16 08:53:39 UTC 2023 , Edited by admin on Sat Dec 16 08:53:39 UTC 2023
PRIMARY
USAN
Z-53
Created by admin on Sat Dec 16 08:53:39 UTC 2023 , Edited by admin on Sat Dec 16 08:53:39 UTC 2023
PRIMARY
EVMPD
SUB04886MIG
Created by admin on Sat Dec 16 08:53:39 UTC 2023 , Edited by admin on Sat Dec 16 08:53:39 UTC 2023
PRIMARY
NCI_THESAURUS
C152659
Created by admin on Sat Dec 16 08:53:39 UTC 2023 , Edited by admin on Sat Dec 16 08:53:39 UTC 2023
PRIMARY
CAS
111793-42-1
Created by admin on Sat Dec 16 08:53:39 UTC 2023 , Edited by admin on Sat Dec 16 08:53:39 UTC 2023
PRIMARY
MERCK INDEX
m10889
Created by admin on Sat Dec 16 08:53:39 UTC 2023 , Edited by admin on Sat Dec 16 08:53:39 UTC 2023
PRIMARY Merck Index