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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H30Cl2NO6P.2Na.H2O
Molecular Weight 582.362
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ESTRAMUSTINE PHOSPHATE SODIUM

SMILES

O.[Na+].[Na+].[H][C@@]12CC[C@H](OP([O-])([O-])=O)[C@@]1(C)CC[C@]3([H])C4=C(CC[C@@]23[H])C=C(OC(=O)N(CCCl)CCCl)C=C4

InChI

InChIKey=OAIHMBRTKDWZQG-WFVUJJAZSA-L
InChI=1S/C23H32Cl2NO6P.2Na.H2O/c1-23-9-8-18-17-5-3-16(31-22(27)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)32-33(28,29)30;;;/h3,5,14,18-21H,2,4,6-13H2,1H3,(H2,28,29,30);;;1H2/q;2*+1;/p-2/t18-,19-,20+,21+,23+;;;/m1.../s1

HIDE SMILES / InChI
Molecular Formula HO
Molecular Weight 17.0073
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula C23H31Cl2NO6P
Molecular Weight 519.375
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Sat Dec 16 07:38:26 UTC 2023
Edited
by admin
on Sat Dec 16 07:38:26 UTC 2023
Record UNII
75F375MT2N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ESTRAMUSTINE PHOSPHATE SODIUM
ORANGE BOOK   VANDF  
Common Name English
ESTRAMUSTINE PHOSPHATE SODIUM HYDRATE
JAN  
Common Name English
ESTRAMUSTINE PHOSPHATE SODIUM [VANDF]
Common Name English
ESTRAMUSTINE PHOSPHATE SODIUM [ORANGE BOOK]
Common Name English
EMCYT
Brand Name English
ESTRAMUSTINE SODIUM PHOSPHATE MONOHYDRATE
Common Name English
RO-218837-001
Code English
ESTRA-1,3,5(10)-TRIENE-3,17-DIOL (17.BETA.)-, 3-(N,N-BIS(2-CHLOROETHYL)CARBAMATE) 17-(DIHYDROGEN PHOSPHATE), SODIUM SALT, HYDRATE (1:2:1)
Common Name English
ESTRAMUSTINE 17-(DIHYDROGENPHOSPHATE) DISODIUM SALT MONOHYDRATE [MI]
Common Name English
Estramustine phosphate sodium monohydrate [WHO-DD]
Common Name English
ESTRAMUSTINE 17-(DIHYDROGENPHOSPHATE) DISODIUM SALT MONOHYDRATE
MI  
Common Name English
ESTRAMUSTINE PHOSPHATE SODIUM HYDRATE [JAN]
Common Name English
ESTRAMUSTINE PHOSPHATE SODIUM MONOHYDRATE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C25974
Created by admin on Sat Dec 16 07:38:26 UTC 2023 , Edited by admin on Sat Dec 16 07:38:26 UTC 2023
NCI_THESAURUS C697
Created by admin on Sat Dec 16 07:38:26 UTC 2023 , Edited by admin on Sat Dec 16 07:38:26 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID60153687
Created by admin on Sat Dec 16 07:38:26 UTC 2023 , Edited by admin on Sat Dec 16 07:38:26 UTC 2023
PRIMARY
RXCUI
4090
Created by admin on Sat Dec 16 07:38:26 UTC 2023 , Edited by admin on Sat Dec 16 07:38:26 UTC 2023
PRIMARY RxNorm
PUBCHEM
23725080
Created by admin on Sat Dec 16 07:38:26 UTC 2023 , Edited by admin on Sat Dec 16 07:38:26 UTC 2023
PRIMARY
MERCK INDEX
m5031
Created by admin on Sat Dec 16 07:38:26 UTC 2023 , Edited by admin on Sat Dec 16 07:38:26 UTC 2023
PRIMARY Merck Index
DRUG BANK
DBSALT000845
Created by admin on Sat Dec 16 07:38:26 UTC 2023 , Edited by admin on Sat Dec 16 07:38:26 UTC 2023
PRIMARY
EVMPD
SUB69276
Created by admin on Sat Dec 16 07:38:26 UTC 2023 , Edited by admin on Sat Dec 16 07:38:26 UTC 2023
PRIMARY
CAS
1227300-83-5
Created by admin on Sat Dec 16 07:38:26 UTC 2023 , Edited by admin on Sat Dec 16 07:38:26 UTC 2023
PRIMARY
NCI_THESAURUS
C480
Created by admin on Sat Dec 16 07:38:26 UTC 2023 , Edited by admin on Sat Dec 16 07:38:26 UTC 2023
PRIMARY
SMS_ID
100000135042
Created by admin on Sat Dec 16 07:38:26 UTC 2023 , Edited by admin on Sat Dec 16 07:38:26 UTC 2023
PRIMARY
EVMPD
SUB26928
Created by admin on Sat Dec 16 07:38:26 UTC 2023 , Edited by admin on Sat Dec 16 07:38:26 UTC 2023
PRIMARY
FDA UNII
75F375MT2N
Created by admin on Sat Dec 16 07:38:26 UTC 2023 , Edited by admin on Sat Dec 16 07:38:26 UTC 2023
PRIMARY
ChEMBL
CHEMBL1756
Created by admin on Sat Dec 16 07:38:26 UTC 2023 , Edited by admin on Sat Dec 16 07:38:26 UTC 2023
PRIMARY
CHEBI
31562
Created by admin on Sat Dec 16 07:38:26 UTC 2023 , Edited by admin on Sat Dec 16 07:38:26 UTC 2023
PRIMARY
DAILYMED
75F375MT2N
Created by admin on Sat Dec 16 07:38:26 UTC 2023 , Edited by admin on Sat Dec 16 07:38:26 UTC 2023
PRIMARY
Related Record Type Details
Structure of ESTRAMUSTINE PHOSPHATE
PARENT -> SALT/SOLVATE
Structure of ESTRAMUSTINE PHOSPHATE SODIUM ANHYDROUS
ANHYDROUS->SOLVATE
Related Record Type Details
Structure of ESTRAMUSTINE
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