Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C26H36Cl2N2O4 |
| Molecular Weight | 511.481 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]12CC[C@H](OC(=O)[C@H](C)N)[C@@]1(C)CC[C@]3([H])C4=CC=C(OC(=O)N(CCCl)CCCl)C=C4CC[C@@]23[H]
InChI
InChIKey=NRUFLTXGIPFVSH-KBVRNWHJSA-N
InChI=1S/C26H36Cl2N2O4/c1-16(29)24(31)34-23-8-7-22-21-5-3-17-15-18(33-25(32)30(13-11-27)14-12-28)4-6-19(17)20(21)9-10-26(22,23)2/h4,6,15-16,20-23H,3,5,7-14,29H2,1-2H3/t16-,20+,21+,22-,23-,26-/m0/s1
| Molecular Formula | C26H36Cl2N2O4 |
| Molecular Weight | 511.481 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Alestramustine is the l-alanine ester form of estramustine, a combination of the nitrogen mustard normustine coupled via a carbamate to estradiol, with antineoplastic activity. Upon conversion of alestramustine to estramustine, estramustine binds to microtubule-associated proteins (MAPs) and beta tubulin, thereby interfering with microtubule dynamics and leading to microtubule disassembly and cell cyle arrest. Due to the estrogen moiety, this agent is able to selectively bind to and be taken up by estrogen receptor-positive cells.
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:13:46 GMT 2023
by
admin
on
Fri Dec 15 16:13:46 GMT 2023
|
| Record UNII |
81U8A51CHK
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
Download
| Name | Type | Language | ||
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Official Name | English | ||
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Common Name | English | ||
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Common Name | English | ||
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Common Name | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C697
Created by
admin on Fri Dec 15 16:13:46 GMT 2023 , Edited by admin on Fri Dec 15 16:13:46 GMT 2023
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| Code System | Code | Type | Description | ||
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CHEMBL2106670
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DTXSID201045221
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100000087873
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7015
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C77370
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20055302
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SUB05310MIG
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81U8A51CHK
Created by
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139402-18-9
Created by
admin on Fri Dec 15 16:13:46 GMT 2023 , Edited by admin on Fri Dec 15 16:13:46 GMT 2023
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Alestramustine
Created by
admin on Fri Dec 15 16:13:46 GMT 2023 , Edited by admin on Fri Dec 15 16:13:46 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
