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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H30Cl2NO6P.2Na
Molecular Weight 564.347
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ESTRAMUSTINE PHOSPHATE SODIUM ANHYDROUS

SMILES

[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=IIUMCNJTGSMNRO-VVSKJQCTSA-L
InChI=1S/C23H32Cl2NO6P.2Na/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);;/q;2*+1/p-2/t18-,19-,20+,21+,23+;;/m1../s1

HIDE SMILES / InChI

Approval Year

Unknown
86413
Name Type Language
ESTRAMUSTINE PHOSPHATE SODIUM ANHYDROUS
Common Name English
ESTRAMUSTINE 17-(DIHYDROGENPHOSPHATE) DISODIUM SALT ANHYDROUS [MI]
Common Name English
ESTRAMUSTINE PHOSPHATE SODIUM [USAN]
Common Name English
Estramustine phosphate sodium [WHO-DD]
Common Name English
ESTRAMUSTINE PHOSPHATE SODIUM ANHYHDROUS
Common Name English
ESTRAMUSTINE SODIUM PHOSPHATE
MART.  
Common Name English
ESTRAMUSTINE SODIUM PHOSPHATE [MART.]
Common Name English
ESTRADIOL 3-(BIS(2-CHLOROETHYL)CARBAMATE) 17-(DIHYDROGEN PHOSPHATE), DISODIUM SALT
Common Name English
ESTRAMUSTINE SODIUM PHOSPHATE [JAN]
Common Name English
ESTRA-1,3,5(10)-TRIENE-3,17-DIOL (17.BETA.)-, 3-(BIS(2-CHLOROETHYL)CARBAMATE) 17-(DIHYDROGEN PHOSPHATE), DISODIUM SALT
Common Name English
RO 21-8837/001
Code English
RO-21-8837/001
Code English
Code System Code Type Description
ECHA (EC/EINECS)
257-735-7
Created by admin on Sat Dec 16 02:16:59 UTC 2023 , Edited by admin on Sat Dec 16 02:16:59 UTC 2023
PRIMARY
SMS_ID
100000091336
Created by admin on Sat Dec 16 02:16:59 UTC 2023 , Edited by admin on Sat Dec 16 02:16:59 UTC 2023
PRIMARY
MERCK INDEX
m5031
Created by admin on Sat Dec 16 02:16:59 UTC 2023 , Edited by admin on Sat Dec 16 02:16:59 UTC 2023
PRIMARY
EPA CompTox
DTXSID2048953
Created by admin on Sat Dec 16 02:16:59 UTC 2023 , Edited by admin on Sat Dec 16 02:16:59 UTC 2023
PRIMARY
NCI_THESAURUS
C169965
Created by admin on Sat Dec 16 02:16:59 UTC 2023 , Edited by admin on Sat Dec 16 02:16:59 UTC 2023
PRIMARY
CAS
52205-73-9
Created by admin on Sat Dec 16 02:16:59 UTC 2023 , Edited by admin on Sat Dec 16 02:16:59 UTC 2023
PRIMARY
CHEBI
31562
Created by admin on Sat Dec 16 02:16:59 UTC 2023 , Edited by admin on Sat Dec 16 02:16:59 UTC 2023
PRIMARY
PUBCHEM
444000
Created by admin on Sat Dec 16 02:16:59 UTC 2023 , Edited by admin on Sat Dec 16 02:16:59 UTC 2023
PRIMARY
FDA UNII
IQ856M1R16
Created by admin on Sat Dec 16 02:16:59 UTC 2023 , Edited by admin on Sat Dec 16 02:16:59 UTC 2023
PRIMARY
EVMPD
SUB26928
Created by admin on Sat Dec 16 02:16:59 UTC 2023 , Edited by admin on Sat Dec 16 02:16:59 UTC 2023
PRIMARY
ACTIVE MOIETY
Structure of ESTRAMUSTINE
NIH
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