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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H32Cl2NO6P.C7H17NO5
Molecular Weight 715.597
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ESTRAMUSTINE PHOSPHATE MEGLUMINE

SMILES

CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[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=XCRFEYAXJYXVHT-HLZMRHSNSA-N
InChI=1S/C23H32Cl2NO6P.C7H17NO5/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;1-8-2-4(10)6(12)7(13)5(11)3-9/h3,5,14,18-21H,2,4,6-13H2,1H3,(H2,28,29,30);4-13H,2-3H2,1H3/t18-,19-,20+,21+,23+;4-,5+,6+,7+/m10/s1

HIDE SMILES / InChI

Molecular Formula C7H17NO5
Molecular Weight 195.2136
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C23H32Cl2NO6P
Molecular Weight 520.383
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:32:21 UTC 2023
Edited
by admin
on Sat Dec 16 14:32:21 UTC 2023
Record UNII
C89YOK4N2S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ESTRAMUSTINE PHOSPHATE MEGLUMINE
Common Name English
D-GLUCITOL, 1-DEOXY-1-(METHYLAMINO)-, COMPD. WITH (17.BETA.)-ESTRA-1,3,5(10),TRIENE-3,17-DIYL 3-(BIS(2-CHLOROETHYL)CARBAMATE) 17-(DIHYDROGEN PHOSPHATE) (1:1)
Systematic Name English
Estramustine meglumine phosphate [WHO-DD]
Common Name English
ESTRAMUSTINE PHOSPHATE N-METHYLGLUCAMINE SALT
Common Name English
ESTRA-1,3,5(10)-TRIENE-3,17-DIOL (17.BETA.)-, 3-(BIS(2-CHLOROETHYL)CARBAMATE) 17-(DIHYDROGEN PHOSPHATE), COMPD. WITH 1-DEOXY-1-(METHYLAMINO)-D-GLUCITOL (1:1)
Systematic Name English
ESTRAMUSTINE MEGLUMINE PHOSPHATE
Common Name English
Code System Code Type Description
FDA UNII
C89YOK4N2S
Created by admin on Sat Dec 16 14:32:21 UTC 2023 , Edited by admin on Sat Dec 16 14:32:21 UTC 2023
PRIMARY
PUBCHEM
9961838
Created by admin on Sat Dec 16 14:32:21 UTC 2023 , Edited by admin on Sat Dec 16 14:32:21 UTC 2023
PRIMARY
CAS
325726-21-4
Created by admin on Sat Dec 16 14:32:21 UTC 2023 , Edited by admin on Sat Dec 16 14:32:21 UTC 2023
PRIMARY
SMS_ID
100000170342
Created by admin on Sat Dec 16 14:32:21 UTC 2023 , Edited by admin on Sat Dec 16 14:32:21 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY